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Hone, Christopher A., Nicholas Holmes, Geoffrey R. Akien, Richard A. Bourne, and Frans L. Muller. "Rapid multistep kinetic model generation from transient flow data." Reaction Chemistry & Engineering 2, no. 2 (2017): 103–8. http://dx.doi.org/10.1039/c6re00109b.
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West, Richard H., Magda H. Barecka, and Qing Zhao. "Accelerating Electrocatalyst Innovation: High-Throughput Automated Microkinetic Modeling." ECS Meeting Abstracts MA2023-02, no. 61 (2023): 3426. http://dx.doi.org/10.1149/ma2023-02613426mtgabs.
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To reduce energy-related emissions, we must create chemicals from carbon dioxide with renewable energy, instead of from petroleum. Designing such a process needs computer models that can describe all the chemical reactions that are happening, including those driven by electrochemistry. There may be thousands of such reactions, so we must build a tool to find them automatically. Our reaction mechanism generator for electrocatalysis will create detailed kinetic models for many electrochemical processes, but for this initial project we are targeting the reduction of carbon dioxide to produce propanol, a useful hydrocarbon product. The kinetic models will be used to simulate an electrochemical reactor, then analyzed both technically and economically to determine which catalyst materials and reactor designs are best. This will allow new catalyst materials to be discovered using powerful computers, instead of using very time-consuming and expensive experiments. Building on the state-of-the-art open-source Reaction Mechanism Generator (RMG) software [1,2], we are creating the first automated mechanism generator for electrochemical reactions on a catalyst. Supplied with a feedstock, catalyst, and conditions, it will propose a detailed kinetic model comprising hundreds of intermediate species and reactions. Reactor simulations will predict product yields as a function of feed, concentrations, and potential, allowing conditions to be optimized and the trade-off between conversion and selectivity to be investigated. In turn this could inform a detailed technoeconomic analysis, enabling catalyst materials to be screened in silico on an economic basis. Meanwhile sensitivity analysis of the simulations will select estimated parameters for refinement with DFT calculations. We must first extend RMG to allow charged species, and implement proton coupled electron transfer (PCET) reactions. We will at first use the computational hydrogen electrode model to determine the Gibbs energy of a species (and hence reaction) as a function of chemical potential. Potential-dependent kinetics will be estimated using a charge transfer coefficient model. In preliminary work with a framework like this we have constructed a reaction mechanism for carbon dioxide reduction on Cu(111) with 37 species and 292 reactions (23 of them electrochemical) [3]. The model discovered many key electrochemical pathways to reduce CO2 to experimentally observed products such as methane, methanol, formic acid, ethylene, and ethanol. Acknowledgements The information, data, or work presented herein was funded in part by the Advanced Research Projects Agency-Energy (ARPA-E), U.S. Department of Energy, under Award Number DE-AR0001786. The authors thank Dr. David Farina Jr. for his significant contributions to the proof-of-concept. References [1] Liu, M.; Dana, A. G.; Johnson, M. S.; Goldman, M. J.; Jocher, A.; Payne, A. M.; Grambow, C. A.; Han, K.; Yee, N. W.; Mazeau, E. J.; Blondal, K.; West, R. H.; Goldsmith, C. F.; Green, W. H. Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation. J Chem Inf Model 2021, 61 (6), 2686–2696. doi: 10.1021/acs.jcim.0c01480. [2] Goldsmith, C. F.; West, R. H. Automatic Generation of Microkinetic Mechanisms for Heterogeneous Catalysis. The Journal of Physical Chemistry C 2017, 121 (18), 9970–9981. doi: 10.1021/acs.jpcc.7b02133. [3] Farina, D. Automating Reaction Mechanism Generation of Halocarbon Combustion and Electrochemical Catalysis. PhD Dissertation. Northeastern University, 2022. doi: 10.17760/D20467257
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Montemurro, Milagros, Gabriel G. Siano, María J. Culzoni, and Héctor C. Goicoechea. "Automatic generation of photochemically induced excitation-emission-kinetic four-way data for the highly selective determination of azinphos-methyl in fruit juices." Sensors and Actuators B: Chemical 239 (February 2017): 397–404. http://dx.doi.org/10.1016/j.snb.2016.08.033.
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Journal, IJSREM. "Development of an Energy Harvesting Automated Punching Bag." INTERANTIONAL JOURNAL OF SCIENTIFIC RESEARCH IN ENGINEERING AND MANAGEMENT 08, no. 12 (2024): 1–8. https://doi.org/10.55041/ijsrem39583.
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Abstract—Experience the future of fitness with our innovative automated power generating wall-mounted punching bag. This advanced system revolutionizes traditional workouts by incorporating customizable punch combinations, LED-guided targets, and real-time performance tracking. Users can seamlessly adjust punch settings with a simple knob, while dynamic LED lights guide them through targeted combinations, enhancing training effectiveness and refining technique. Embedded sensors accurately measure punching force and track workout progress, providing insightful feedback via a user-friendly mobile application. Detailed analytics and calorie expenditure data empower users to monitor their fitness journey effectively, while the bag harnesses kinetic energy to contribute to sustainable power generation. This interdisciplinary project merges cutting-edge technology with principles of electrical, electronics, and mechanical engineering, showcasing ingenuity and versatility. Join us in redefining fitness with a sustainable, interactive, and informative workout experience tailored to the needs of enthusiasts and athletes alike.
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HICKS, B. J., G. MULLINEUX, and A. J. MEDLAND. "AUTOMATIC MODEL CREATION FOR KINEMATIC ANALYSIS AND OPTIMIZATION OF ENGINEERING SYSTEMS." International Journal of Image and Graphics 05, no. 03 (2005): 481–99. http://dx.doi.org/10.1142/s0219467805001860.
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The successful adaptation and optimization of existing designs play an important role in the design of high speed machinery. Adaptation and extension of existing design principles to achieve some new functional or performance requirement is imperative for the development of the next generation of machines. In addition to this, continual improvement and optimization of existing designs are necessary to sustain a product's commercial success. Where complex mechanical systems are considered such design activities usually require the application of advanced simulation packages or intelligent CAD systems. The widespread utilization of such techniques, for all but the largest enterprises, is severely frustrated by the considerable level of resources required in order to retain a single, proficient user. These resources include extensive initial training as well as ongoing courses, the purchase of commercial licenses and more often than not, the considerable time and effort necessary for the creation and development of complex computer based models. As a consequence, many SMEs demand reliable, efficient and economical methods to generate simulation models for analysis and investigation. One method for delivering this is to provide an approach for the automatic creation of simulation models from data describing an existing design. Such an approach can reduce costs and resources as well as expedite the model building process. This paper presents a method for automatically generating a representative CAD model of a mechanical system. It supports the transformation of digital images into kinematic models for simulation and analysis. The method integrates motion analysis techniques, a parametric description of mechanical systems and a constraint-based CAD system.
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Yatskul, Andrii, Frederic Cointault, and Jean-Pierre Lemiere. "Maneuverability of Wheeled Poly-Articulated Agricultural Vehicles: Modeling and Field Testing." Transactions of the ASABE 64, no. 6 (2021): 2111–24. http://dx.doi.org/10.13031/trans.14262.
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HighlightsModeling provides the relationships between path, kinematics, geometry, and towed implements.Linear interpolation allows trajectories to be compared if data recording is random.Correction coefficients can be a solution to compensate for soil resistance.Abstract. Automatic guidance systems and autonomous vehicles require tested methods of path generation to ensure successful maneuvers (such as automatic trajectory correction and headland turn management). In this study, an evolution of Zakin’s kinematic modeling, as applied in the automobile industry, is proposed for an agricultural poly-articulated vehicle (representing a tractor or other type of towing vehicle with one or more towed implements attached with an articulated hitch). Geometry, vehicle ground speed, and angular steering velocity are considered in the generation of maneuvering paths. Based on the specifics of real field conditions (slope, plant residue, resistance due to soil compaction, etc.), the initial model was improved by introducing correction coefficients. An experimental setup is proposed using a tractor with two towed implements and a testing method involving point-to-point path comparison. The modeling method has potential for integrating more complex procedures (such as path generation, geolocation, and following) into the design of a maneuvering management system for agricultural machines, which can contribute to the efficiency of field operations. Keywords: Agricultural vehicle, Headland turn automation, Maneuverability, Modeling, Path generation, Path planning, Poly-articulated vehicle.
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Naamat, Lilach, Michal Keslin, and Alon Grinberg Dana. "Generating Predictive Chemical Kinetic Models for Quaternary Ammonium Monomers Chemical Degradation in Anion Exchange Membrane." ECS Meeting Abstracts MA2023-02, no. 65 (2023): 3150. http://dx.doi.org/10.1149/ma2023-02653150mtgabs.
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It is widely accepted that the high cost of Proton Exchange Membrane (PEM) fuel cells (FC) is a major inhibitor of the transition to extensive commercialization of hydrogen-fueled FCs. One known alternative to this technology is Anion Exchange Membrane (AEM), greatly reducing the need for precious metals, e.g., platinum, and allowing a wider choice of lower cost polymeric materials1. Although research in the field of AEM has greatly evolved recently, AEM-FCs still lack sufficient durability and cell longevity. The current major challenge revolves around the chemical and structural stability of polymers constructing the membrane, which undergo different degradation reactions under cell operating conditions. A widely investigated AEM monomer is Benzyl trimethylammonium (BTMA), a quaternary ammonium (QA) cation, in which the positively charged nitrogen atom enables the selective transfer of hydroxide ions through the membrane2. BTMA degradation occurs in several reaction paths, the main one involving a nucleophilic attack of the hydroxide at the benzylic carbon atom, resulting in complete displacement of the functional group (Fig. 1a). Recently, it has also been shown that low hydration levels of hydroxide, evidently more relevant to the FC’s environment, have an immense impact on the reduced stability of BTMA3,4. Despite the elaborate research done on BTMA degradation, as well as on other QA monomers, complete understanding of the chemical mechanisms affecting the stability of AEM-FCs is still lacking. Modeling these mechanisms can assist in facilitating practical implementation of this promising technology, discovering novel chemically-stable ionomers, while saving time and resources in trial-and-error efforts. The goal of this research is to develop an automated workflow for generating and refining predictive chemical kinetic models describing chemical degradation of AEM monomers, by combining several computational tools, and tailoring them to suit our specific needs. The first is the Reaction Mechanism Generator (RMG) software, which automatically generates chemical kinetic models by utilizing a basic comprehension of chemical reactions5. RMG derives its data from “libraries” of kinetic and thermodynamic parameters based on the literature, and from estimations schemes based on group or decision trees. Since RMG currently does not support ion chemistry, it is required to add this feature to the software, along with solvation corrections, while extending its estimation schemes. To achieve this, accurate kinetic and thermodynamic parameters of the species and reactions of interest are necessary. The present work focuses on describing BTMA degradation. Preliminary results for the temperature-dependent rate coefficient and thermodynamic properties were obtained using the Automated Rate Calculator (ARC) software6. This tool facilitates electronic structure calculations relevant for chemical kinetic modeling, by automatically spawning, tracking, and analyzing relevant computations. We computed the BTMA + OH– reaction rate coefficient at a low hydration level (λ=1) at the ωB97xD/Def2-TZVP level of theory, and compared it to the experimental results obtained at three different temperatures (Fig. 1b). The calculations were performed using the SMD solvation model with DMSO as the solvent, in accordance with the experimental conditions. Our preliminary results show some agreement with experimental measurements, and we expect this agreement to improve by calculating single-point energies using the more accurate coupled-cluster (CC) theory. The methods developed to generate a chemical kinetic model for BTMA, can then be applied for other potential QA monomers. Furthermore, an additional software called The Tandem Tool (T3), can be used to perform model refinement, through a process of iterations between RMG and ARC, creating the desired automated model generation workflow. This process is designed to obtain quantum mechanics-based calculated parameters for significant species and reactions in the model, chosen using sensitivity analysis. Altogether, this work can create a powerful tool, providing insights on known AEM ionomers, as well as the flexibility to investigate additional polymeric materials, with minimal experimental resources. References: Gottesfeld, S. et al. Anion exchange membrane fuel cells: Current status and remaining challenges. J Power Sources 375, 170–184 (2018). Chen, N. et al. Anion exchange polyelectrolytes for membranes and ionomers. Prog Polym Sci 113, 101345 (2021). Dekel, D. R. et al. Effect of Water on the Stability of Quaternary Ammonium Groups for Anion Exchange Membrane Fuel Cell Applications. Chemistry of Materials 29, 4425–4431 (2017). Willdorf-Cohen et al. Hydroxide Chemoselectivity Changes with Water Microsolvation. Journal of Physical Chemistry Letters 13, 10216–10221 (2022). Gao, C. W. et al. Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms. Comput Phys Commun 203, 212–225 (2016). Grinberg Dana, A. et al. ARC - Automated Rate Calculator, version 1.1.0. GitHub repository Preprint at https://doi.org/10.5281/zenodo.3356849 (2019). Figure 1
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Novelli, Luca, Michele Vianello, Hong Weimin, Lucia Bonadonna, and Tiziana Forte. "New Developments in Real-Time Kinematic Water Quality Monitoring of Lakes and River Basins." International Journal of Social Ecology and Sustainable Development 1, no. 3 (2010): 49–72. http://dx.doi.org/10.4018/jsesd.2010070105.
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The kinematic approach to water monitoring of rivers and lakes was by Archimedes Logica under the EU initiatives (LIFE1996) for the monitoring of the Lagoon of Venice. These systems were limited to the measurement of typical basic parameters: pH, Eh, salinity, turbidity, dissolved oxygen, electrical conductivity, temperature and immersion depth. However, this earlier system was unable to help against pollution from hydrocarbons. In this paper, the authors present a new kinematic monitoring system named AQUARIUS, which integrates a new generation of automatic chemical and biological analyzers. Automatic sampling and measurement equipment for micro-organism discrimination and counting are present, especially for detecting dangerous species like toxic algae. This article describes the wide spectrum of applications of the new AQUARIUS system: safety control of freshwater reservoirs, detection of urban and agriculture impacts on inland waters and early warning detection of man-made accidents, which are aided by the adoption of new mobile measurement equipment and broadband data channels offered by the modern 3G network.
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Ouassou, Mohammed, Anna B. O. Jensen, Jon G. O. Gjevestad, and Oddgeir Kristiansen. "Next Generation Network Real-Time Kinematic Interpolation Segment to Improve the User Accuracy." International Journal of Navigation and Observation 2015 (February 19, 2015): 1–15. http://dx.doi.org/10.1155/2015/346498.
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This paper demonstrates that automatic selection of the right interpolation/smoothing method in a GNSS-based network real-time kinematic (NRTK) interpolation segment can improve the accuracy of the rover position estimates and also the processing time in the NRTK processing center. The methods discussed and investigated are inverse distance weighting (IDW); bilinear and bicubic spline interpolation; kriging interpolation; thin-plate splines; and numerical approximation methods for spatial processes. The methods are implemented and tested using GNSS data from reference stations in the Norwegian network RTK service called CPOS. Data sets with an average baseline between reference stations of 60–70 km were selected. 12 prediction locations were used to analyze the performance of the interpolation methods by computing and comparing different measures of the goodness of fit such as the root mean square error (RMSE), mean square error, and mean absolute error, and also the computation time was compared. Results of the tests show that ordinary kriging with the Matérn covariance function clearly provides the best results. The thin-plate spline provides the second best results of the methods selected and with the test data used.
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Deng, Zike. "Research on the Development Trend of Artificial Intelligence Led by ChatGPT." Highlights in Science, Engineering and Technology 56 (July 14, 2023): 112–16. http://dx.doi.org/10.54097/hset.v56i.9822.
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The technological growth of artificial intelligence (AI) generally presents the characteristics from simple linearity to complex system. In the early days of AI, its basic idea was simple imperative programming. However, people soon found that it could not complete complex thinking work and could only be used in simple scenes such as data processing, video games and industrial automatic control. ChatGPT, which was born, opened the era of universal AI, which indicates that AI has extensive learning ability and reaches or exceeds the level of ordinary human beings in most fields. ChatGPT, as a new generation of AI technology, will profoundly affect human economic and social development. In the future, AI will almost bring changes and reconstruction to all walks of life. Under the background of deepening the supply-side structural reform, it is of great significance to promote the practical application of AI and continuously provide new kinetic energy for economic development. This paper analyzes the development opportunities and challenges of ChatGPT in AI industry, labor and employment, education, scientific research and other fields, and explores the development trend of AI led by ChatGPT.
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Yang, Jeehyun, and Renyu Hu. "Automated Chemical Reaction Network Generation and Its Application to Exoplanet Atmospheres." Astrophysical Journal 966, no. 2 (2024): 189. http://dx.doi.org/10.3847/1538-4357/ad35c8.
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Abstract With the advent of JWST and the spectroscopic characterization of exoplanet atmospheres in unprecedented detail, there is a demand for more complete pictures of chemical and photochemical reactions and their impacts on atmospheric composition. Traditionally, building reaction networks for (exo)planetary atmospheres involves manually tracking relevant species and reactions, a time-consuming and error-prone process. This approach’s applicability is also often limited to specific conditions, making it less versatile for different planetary types (i.e., photochemical networks for Jupiters may not be directly applicable to water-rich exoplanets). We introduce an automated approach using a computer-aided chemical reaction network generator, combined with a 1D photochemical kinetic-transport model, offering significant advantages. This approach automatically selects reaction rates through a rate-based iterative algorithm and multiple refinement steps, enhancing model reliability. Also, this approach allows for the efficient simulation of diverse chemical environments, from hydrogen to water, carbon dioxide, and nitrogen-dominated atmospheres. Using WASP-39b and WASP-80b as examples, we demonstrate our approach’s effectiveness, showing good agreement with recent JWST data. Our WASP-39b model aligns with prior studies and JWST observations, capturing photochemically produced sulfur dioxide. The WASP-80b model reveals an atmosphere influenced by deep-interior thermochemistry and vertical mixing, consistent with JWST NIRCam observations. Furthermore, our model identifies a novel initial step for the N2–NH3–HCN pathway that enhances the efficiency of the conversion in high-temperature/high-pressure environments. This automated chemical network generation offers a novel, efficient, and precise framework for studying exoplanetary atmospheres, marking a significant advancement over traditional modeling techniques.
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Brumer, Irène, Dominik F. Bauer, Lothar R. Schad, and Frank G. Zöllner. "Synthetic Arterial Spin Labeling MRI of the Kidneys for Evaluation of Data Processing Pipeline." Diagnostics 12, no. 8 (2022): 1854. http://dx.doi.org/10.3390/diagnostics12081854.
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Accurate quantification of perfusion is crucial for diagnosis and monitoring of kidney function. Arterial spin labeling (ASL), a completely non-invasive magnetic resonance imaging technique, is a promising method for this application. However, differences in acquisition (e.g., ASL parameters, readout) and processing (e.g., registration, segmentation) between studies impede the comparison of results. To alleviate challenges arising solely from differences in processing pipelines, synthetic data are of great value. In this work, synthetic renal ASL data were generated using body models from the XCAT phantom and perfusion was added using the general kinetic model. Our in-house developed processing pipeline was then evaluated in terms of registration, quantification, and segmentation using the synthetic data. Registration performance was evaluated qualitatively with line profiles and quantitatively with mean structural similarity index measures (MSSIMs). Perfusion values obtained from the pipeline were compared to the values assumed when generating the synthetic data. Segmentation masks obtained by semi-automated procedure of the processing pipeline were compared to the original XCAT organ masks using the Dice index. Overall, the pipeline evaluation yielded good results. After registration, line profiles were smoother and, on average, MSSIMs increased by 25%. Mean perfusion values for cortex and medulla were close to the assumed perfusion of 250 mL/100 g/min and 50 mL/100 g/min, respectively. Dice indices ranged 0.80–0.93, 0.78–0.89, and 0.64–0.84 for whole kidney, cortex, and medulla, respectively. The generation of synthetic ASL data allows flexible choice of parameters and the generated data are well suited for evaluation of processing pipelines.
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Van Praagh, Andrew, Bo Nelson, Paul Ballieu, Melanie Smith, and Mike Rule. "Abstract 7427: Automated, real-time acquisition and quantification of peak, plateau-phase in vivo bioluminescent data." Cancer Research 84, no. 6_Supplement (2024): 7427. http://dx.doi.org/10.1158/1538-7445.am2024-7427.
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Abstract It is widely recognized that plateau-phase bioluminescent (BL) kinetic curve data should be used when reporting on BLI results from substrate-injection BLI model systems. The basis for this understanding is that plateau-phase BL data is uniquely suited in several ways: (i) it will optimize the detection of target, luciferase-expressing cells (especially when they are low in copy number or deep within the animal model), (ii) it will optimize BLI data reproducibility (with there being no change in signal values across the plateau phase), and (iii) it will also provide BLI data values that correlate consistently with the number of viable target cells in a given BLI model. Given this critical value of plateau-phase BL data, there is, nevertheless, a simple practical issue to be addressed: The overall manual process of generating BL kinetic curves, and then identifying and quantifying plateau-phase data is not insignificant—it takes time!In this poster, we review the performance of “Kinetics,” a new feature in the Aura software platform from Spectral Instruments Imaging, LLC. Kinetics is designed to collect, present, and analyze BL kinetic curve data for up to 10 mice, in a completely automated and real-time fashion. Data outputs include a live graph that simultaneously presents individual mouse, whole body ROI (Total photon/sec) values vs. time post-luciferase injection, and analogous mean BL values per mouse group. Here in, we present an evaluation of the performance of Kinetics under various testing conditions. We initially evaluated Kinetics’ ability to acquire, present and analyze the BL kinetic curves of 5 phantoms. The photon output rates of these phantoms (Total photons/sec) were programmed to mimic the rise, plateau, and fall sequence typically seen BLI studies. In an analogous fashion, we then tested Kinetics’ ability to acquire, present, and analyze the BL kinetic curves of 5 to 10 live mice from several oncology models. Furthermore, we used Kinetics in oncology efficacy studies to monitor for expected changes in BL kinetic curve shapes (i.e., for changes in the onset times and durations of the rise, plateau and fall phases in BL kinetic curves) between different treatment groups (e.g., between positive controls groups and one or more treatment groups). In the same studies, we also used Kinetics to check for changes in BL kinetic curve shapes that might occur for a given treatment group across several time points, after pathogen challenge. Results from this set of experiments consistently and clearly illustrated the capability of Kinetics to acquire, present and analyze individual and mean BL kinetic curve data for up to 10 mice at a time, in an automated and real-time fashion. We believe that Kinetics from Spectral Instruments Imaging, LLC, has the potential to revolutionize the ease with which plateau-phase, BL kinetic curve data can be collected, presented, and used in a wide range of preclinical BLI studies. Citation Format: Andrew Van Praagh, Bo Nelson, Paul Ballieu, Melanie Smith, Mike Rule. Automated, real-time acquisition and quantification of peak, plateau-phase in vivo bioluminescent data [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2024; Part 1 (Regular Abstracts); 2024 Apr 5-10; San Diego, CA. Philadelphia (PA): AACR; Cancer Res 2024;84(6_Suppl):Abstract nr 7427.
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Persson, Kristin A. "(Invited) Prediction of Electrode-Electrolyte Degradation through First-Principles and Data-Driven Reaction Networks." ECS Meeting Abstracts MA2024-02, no. 7 (2024): 809. https://doi.org/10.1149/ma2024-027809mtgabs.
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Despite decades of work, there is still considerable uncertainty regarding the major components of the solid-electrolyte interface (SEI) and its dynamic formation mechanism as a function of electrolyte and anode composition. Here we present a our data-driven first-principles framework using a combination of high-throughput calculations, reaction networks, machine learning and microkinetic modeling. Our automated methodology is based on a systematic generation of relevant species using a general fragmentation/recombination procedure which provides the basis for a vast thermodynamic reaction landscape, calculated with density functional theory. We explore this landscape using stochastic methods and shortest pathfinding algorithms, which yield the most likely reaction pathways which are then refined with transition state calculations and kinetic information. The results of the framework show promise in being able to automatically recover previous insights on single reaction pathways, as well as successfully predicting the early dynamics and competitive nature of the SEI formation. As examples, we present i) formation mechanisms of LEMC as compared to LEDC and ii) recover the Peled-like separation of the SEI into inorganic and organic domains resulting from rich reactive competition. By conducting accelerated simulations at elevated temperature, we track SEI evolution, confirming the postulated reduction of lithium ethylene monocarbonate to dilithium ethylene monocarbonate and hydrogen gas. Relevant for future reaction networks, we use first-principles methods to uncover new mechanistic understanding of decomposition pathways for LiPF6 and EC, the latter under oxidative conditions. These findings furnish fundamental insights into the dynamics of SEI formation and demonstrate a path forward toward a predictive understanding of electrochemical passivation.
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Bräuer, Peter, Camille Mouchel-Vallon, Andreas Tilgner, et al. "Development of a protocol for the auto-generation of explicit aqueous-phase oxidation schemes of organic compounds." Atmospheric Chemistry and Physics 19, no. 14 (2019): 9209–39. http://dx.doi.org/10.5194/acp-19-9209-2019.
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Abstract. This paper presents a new CAPRAM–GECKO-A protocol for mechanism auto-generation of aqueous-phase organic processes. For the development, kinetic data in the literature were reviewed and a database with 464 aqueous-phase reactions of the hydroxyl radical with organic compounds and 130 nitrate radical reactions with organic compounds has been compiled and evaluated. Five different methods to predict aqueous-phase rate constants have been evaluated with the help of the kinetics database: gas–aqueous phase correlations, homologous series of various compound classes, radical reactivity comparisons, Evans–Polanyi-type correlations, and structure–activity relationships (SARs). The quality of these prediction methods was tested as well as their suitability for automated mechanism construction. Based on this evaluation, SARs form the basis of the new CAPRAM–GECKO-A protocol. Evans–Polanyi-type correlations have been advanced to consider all available H atoms in a molecule besides the H atoms with only the weakest bond dissociation enthalpies (BDEs). The improved Evans–Polanyi-type correlations are used to predict rate constants for aqueous-phase NO3 and organic compounds reactions. Extensive tests have been performed on essential parameters and on highly uncertain parameters with limited experimental data. These sensitivity studies led to further improvements in the new CAPRAM–GECKO-A protocol but also showed current limitations. Biggest uncertainties were observed in uptake processes and the estimation of Henry's law coefficients as well as radical chemistry, in particular the degradation of alkoxy radicals. Previous estimation methods showed several deficits, which impacted particle growth. For further evaluation, a 1,3,5-trimethylbenzene oxidation experiment has been performed in the aerosol chamber “Leipziger Aerosolkammer” (LEAK) at high relative humidity conditions and compared to a multiphase mechanism using the Master Chemical Mechanism (MCMv3.2) in the gas phase and using a methylglyoxal oxidation scheme of about 600 reactions generated with the new CAPRAM–GECKO-A protocol in the aqueous phase. While it was difficult to evaluate single particle constituents due to concentrations close to the detection limits of the instruments applied, the model studies showed the importance of aqueous-phase chemistry in respect to secondary organic aerosol (SOA) formation and particle growth. The new protocol forms the basis for further CAPRAM mechanism development towards a new version 4.0. Moreover, it can be used as a supplementary tool for aerosol chambers to design and analyse experiments of chemical complexity and help to understand them on a molecular level.
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Lin, Psang Dain, and Ming Far Lee. "Applications of D-H Notation in Machining and On-Line Measurement of Roller-Gear Cams on 5-Axis Machine Tools." Journal of Manufacturing Science and Engineering 119, no. 3 (1997): 393–401. http://dx.doi.org/10.1115/1.2831119.
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A kinematic model is presented to aid in the design of cam-profiles and determine the NC data equations using Denavit-Hartenberg (D-H) notation to produce and to measure the dimension accuracy of roller-gear cams on 5-axis machine tools. First, cam profiles are determined based on the conjugate surface theory. Then, D-H notation is employed in the derivation of machine tool ability functions and in the generation of the desired cutter/measuring-probe location matrices. The desired NC data equations are obtained by solving the link variables of the machine tool by equating the machine tool ability function with the tool location matrices. The resultant cutting speed and material-removal rate during machining are also investigated. To verify the validity of this methodology, a designed roller-gear cam was machined and its surfaces were measured through the on-line measurement system equipped with a touch-trigger probe on a 5-axis machine tool. This methodology combines the cam design, machining, and measurement techniques, thus making the production process more flexible, automatic, and controllable.
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Krogh, Christian, Jens A. Glud, and Johnny Jakobsen. "Modeling the robotic manipulation of woven carbon fiber prepreg plies onto double curved molds: A path-dependent problem." Journal of Composite Materials 53, no. 15 (2019): 2149–64. http://dx.doi.org/10.1177/0021998318822722.
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This paper investigates the behavior of woven prepreg plies being placed on a weakly double curved mold by a robot. It is essential that the draped configuration is free from wrinkles. The baseline is a virtual draping environment that can plan and simulate robot draping sequences. It consists of a kinematic mapping algorithm for obtaining target points for the grippers on the mold surface. A simple motion planner is used to calculate the trajectories of the grippers. Here, two conceptually different draping strategies are employed. Finally, the two generated draping sequences are simulated using a transient, non-linear finite element model and compared w.r.t. their predicted wrinkle formations. Material data are obtained by means of tension, bias-extension and cantilever tests. The numerical examples show that the virtual draping environment can aid in developing the automatic draping system but that the generation of feasible draping sequences is highly path dependent and non-trivial.
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Duta, Alina, Iulian Popescu, Simona-Mariana Cretu, Andrei Corzanu, Valentin Corzanu, and Dragos-Laurentiu Popa. "The Manufacture of Curved Crease Surfaces Starting from Kinematic Analysis of Planar Mechanisms." Processes 10, no. 11 (2022): 2344. http://dx.doi.org/10.3390/pr10112344.
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Achieving curved crease surfaces is a current challenge for designers, the field still underexplored. The curve on which the bending is performed can present extremely complicated shapes that must be accurately generated through various technological processes. For this aim, a planar mechanism consisting of an ellipsograph, a conchoidograph and an RRR dyad—whose inner joint generates the targeted connecting rod curve—was proposed in this paper. Parametrizing the lengths of the elements of the RRR dyad, the correlation coefficient of the rotations of the leading elements and the directions of these movements result in different connecting rod curves, which can be used to obtain the folded surfaces; the optimization, according to various criteria, will be explored for the automatic generation of some design solutions. With the help of the Altair program, for some given geometrical data of the mechanism, both the drawing of the curve on plates of different initial shapes and the simulation of their folding by applying compression forces on the bounding surfaces were carried out. By cutting the deformed shape, folded surface units used in tessellations are obtained.
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Sun, Siyu, Joke Konings, Rolf T. Urbanus, et al. "Diversity of Plasmatic Thrombin Pools Regulate Thrombin Generation and Blood Clotting: Interference By a Novel Nanobody." Blood 142, Supplement 1 (2023): 3978. http://dx.doi.org/10.1182/blood-2023-185665.
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Background: Thrombin has a multitude of roles in the initiation and propagation of (anti)coagulation, in platelet activation and fibrin clot formation. The assessment of thrombin generation (TG) and thrombin-dynamics, combined with multi-omics data, has provided in-depth understanding of the plasma factors contributing to the (in)activation of thrombin in triggered plasma and whole-blood. By default, the generated thrombin is considered to act as a single pool. Here, we present evidence for at least two major proteolytically active thrombin pools with non-overlapping functions in blood clotting. Methods: A novel Syn-Nb-AF106 anti-fibrin nanobody (Nb106) was characterized, targeting a species-conserved thrombin-binding site exposed by fibrinopeptide A cleavage from fibrinogen (Sun et al, this meeting). Thrombin generation was assessed by calibrated automated thrombography using various triggers with control (multi-donor) and (reconstituted) coagulation factor-deficient plasmas, platelet-rich plasma or whole blood. Fibrin clot formation was evaluated by scanning electron microscopy (SEM). Clot retraction was macroscopically assessed. Results: In tissue factor-triggered thrombin generation,we discovered that Nb106 dose-dependently reduced the thrombin peak level and endogenous thrombin potential (ETP) to 54-62%, without affecting kinetic thrombin generation parameters. We observed a similar reduction in platelet-free plasma, platelet-rich plasma and whole blood. Biochemically, Nb106 displaced thrombin from a binding site on cleaved fibrinogen (Sun et al., abstract). Nb106 inhibited tissue factor-induced thrombin generation, using plasma deficient in factor IX, XI or XII, but not using plasmas deficient in fibrinogen or antithrombin. Reconstitution experiments showed that the inhibition depended on the fibrinogen concentration. A-specific control nanobodies were without effect. Together, the fibrin(ogen)-dependent and thrombin-inhibiting effect indicated that Nb106 operates by releasing proteolytically-active thrombin from fibrin to allow inactivation by antithrombin. Time-dependent, late spiking experiments revealed that Nb106 reduced the generation of thrombin only when added at 0-15 minutes after trigger, but no longer after 30 minutes, suggesting that the inhibitory capacity was due to a shortened thrombin binding to fibrin rather than to a continued protection towards antithrombin. In plasmas from a cohort of 64 healthy subjects, application of Nb106 showed a consistent reducing effect on the parameters peak and ETP, with a moderate positive correlation with the fibrinogen level. Nb106 suppressed the thrombin generation amplitude, but not the kinetics in the presence of a panel of direct oral anticoagulants (DOAC). Strikingly, brightfield microscopy and SEM indicated that Nb106, but not control nanobodies, in triggered plasma, platelet-rich plasma and whole-blood, fully abrogated the formation of elongating fibrin fibers. In agreement with this, it strongly suppressed whole-blood clot retraction. Conclusion: Collectivity, these data point to the existence of two major pools of proteolytically active thrombin, both of which contributing to thrombin generation, that are formed upon plasma and blood coagulation. One pool of soluble thrombin steers the proteolytic coagulation cascade, while another pool is bound to growing fibrin fibers. The latter pool still cleaves the conventional AMC thrombin substrate, is temporarily protected against antithrombin, and is required for fibrin fiber extension and blood clotting and clot retraction. The Nb106, replacing thrombin from its binding site on fibrin, selectively annuls the second pool, thereby blocking the clotting process. The replacement ensures thrombin inactivation by antithrombin. Perspective: The novel anti-fibrin nanobody Syn-Nb-AF106 or a derivative has the potential to act as an alternative anticoagulant in thrombotic diseases with pathological fibrin formation.
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Yartseva, V. F., D. S. Ozhigin, V. N. Dolgonosov, S. B. Ozhigina, and S. G. Ozhigin. "Study of rock mass structural features based on laser scanning results." Kompleksnoe Ispolzovanie Mineralnogo Syra = Complex Use of Mineral Resources 338, no. 3 (2025): 72–80. https://doi.org/10.31643/2026/6445.30.
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Monitoring of pit slopes benches stability and pit walls plays the important role in the safety of mining operations. Slope stability assessment and risk management are mandatory to ensure safe and efficient operation of pits. Laser scanning technology is one of the base methods of geospatial data collecting for building of man-made objects models. Laser scanning is widely used in mining when performing survey work, measurements, monitoring, and studying structural features on the outcroppings of the rock mass. The article describes the technological chain: the collection of geospatial data, the processing of the obtained data with the construction of a terrain model and the further use of the resulting model to solve practical tasks. The choice of optimal laser scanning parameters should be based on the technological features of a pit, the technical characteristics of used equipment and scanning density required to solve the tasks. The article demonstrates the use of the obtained model for determining the necessary geometric parameters of the structural features of the rock mass to conduct kinematic analysis of potential bench failures at the object of study. Based on the results of kinematic analysis, recommendations were developed for further mining operations and potential bench failures risks reducing. The proposed technology can be used and adapted for laser scanning, followed by the construction of a terrain model at various mineral deposits to solve a wide range of tasks and ensure the safety of open-pit mining. Due to the inclusion of laser scanners in the register of measuring instruments in Kazakhstan, high reliability of measurement accuracy is ensured. The technology allows both to obtain generalized data on the sides of the quarry, as well as detailed scans of individual ledges. A significant advantage is the automatic generation of a point cloud during scanning, which reduces in-house processing.
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Vandewiele, Nick M., Ruben Van De Vijver, Hans-Heinrich Carstensen, Kevin M. Van Geem, Marie-Françoise Reyniers, and Guy B. Marin. "Implementation of Stereochemistry in Automatic Kinetic Model Generation." International Journal of Chemical Kinetics 48, no. 12 (2016): 755–69. http://dx.doi.org/10.1002/kin.21030.
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Siddiqui, Fakiha, Emily Bontekoe, Darko Antic, Debra Hoppensteadt, Grigoris Gerotziafas та Jawed Fareed. "Decreased Thrombin Generation Potential in Lymphoma Patients Is Associated with Increased D-Dimer, CRP, Vwf and TNF-α. Interrelationship between Thrombogenesis and Inflammation". Blood 134, Supplement_1 (2019): 5239. http://dx.doi.org/10.1182/blood-2019-128440.
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Introduction: The prevalence of thrombosis in lymphoma patients is reportedly high and ranges from 3 - 10%, and further increased at advanced stages of the disease especially in hgNHL. Inflammation and other vascular factors contribute to the pathogenesis of these thrombotic complications. Biomarkers of hemostatic activation, vascular dysfunction and inflammation are elevated in lymphoma. We have previously reported that thrombin generation biomarkers such as D-Dimer, thrombin anti-thrombin complex (TAT) and prothrombin fragment (F1.2) along with inflammatory biomarkers are increased in cancer patients. Interestingly, despite an increase in thrombin generation markers, thrombin generation potential in these patients is decreased. This study was designed to compare the thrombin generation potential and its relevance to the generation of various biomarkers of hemostatic activation process and inflammatory responses. Methods: Citrated blood samples from 90 patients with confirmed diagnosis of non-Hodgkin lymphoma (NHL), Hodgkin lymphoma (HL) and Chronic lymphocytic leukemia/Small lymphocytic lymphoma (CLL/SLL) were collected from the Clinic of Hematology Unit, University of Belgrade, Belgrade, Serbia. 50 samples of normal human plasma (NHP) was obtained from George King Biomedical (Overland park, KS). NHP was prepared for referencing purposes. Thrombin generation studies were carried out using a commercially available a kinetic fluorogenic substrate method (calibrated automated thrombogram; CAT). Thrombin generation parameters such as peak thrombin (PT), lag time (LT) and area under the curve (AUC) were compiled. Plasma levels of D-Dimer, CRP, vWF and TNF- α were measured by using commercially available Sandwich ELISA assays. Results were compiled in terms of mean ± SD. Correlation analysis carried out by using Prism, Graphpad. Results: On a cumulative basis, lymphoma patients showed an increase in lag time (2.9 1.17) in comparison to the NHP (2.7). The peak thrombin levels was decreased (119.0 46.2) in the lymphoma patients in comparison to NHP (159.7 31.1). The AUC was decreased (670.2 290.01) in the lymphoma patients in comparison to NHP (700.9 ). When the lymphoma patients were sub grouped, peak thrombin levels were similar in HL (129.9), NHL (114.7) and CLL (127.4) and were decreased compared to NHP (159.7). However the AUC was increased in the HL (769), decreased in NHL (642.4) and was comparable for CLL (715.4) compared to NHP (700.9). Variations in lag time were noted in the three groups. The lymphoma patients also exhibited elevated levels of D-Dimer (878 1205 ng/ml) in comparison to NHP (280 ng/ml), CRP (15.2 26.6 ug/ml) in comparison to NHP (0.9 ug/ml), vWF (271.8 189.7 %) in comparison to NHP (122%) and TNF-α (16.4 20.64 pg/ml) in comparison to NHP (4.2 pg/ml). Interestingly, when the lymphoma group were subdivided into various groups, the D-Dimer level was highest in HL following the order HL>NHL>CLL. CRP and vWF levels were highest in HL and comparable in both NHL and CLL. Wide scatter in TNF-α data was noted with CLL exhibiting highest levels with the ranked order CLL>NHL>HL. The composite data on thrombin generation parameters and biomarkers is shown on the table 1A. In the HL group D-Dimer and CRP correlated well with AUC and PT, in this group vWF also showed a good correlation with PT. In the NHL group, CRP correlated well with LT. In the CLL group none of the biomarkers correlated well with the thrombin generation parameters. On a cumulative basis, D-Dimer, CRP, vWF and TNF-α had no significant relevance to thrombin generation parameters. The composite regression coefficience data is shown on table 1B. Conclusion: Lymphoma patients represent a heterogenous group in which both the hypercoagulable state and inflammatory responses simultaneously occur as evident by increase in D-Dimer and inflammatory biomarkers. While the overall thrombin generation potential in the plasma of these patients is decreased, thrombin is constantly generated in some of these patient leading to the formation of fibrin. The observed decrease in thrombin generation potential in these patients may be due to the consumption of prothrombin and other coagulation factors. Wide variations among these lymphoma groups are noted. Profiling of thrombin generation and inflammatory biomarkers may be helpful in thrombotic risk stratification of lymphoma patients and their anti-thrombotic management. Disclosures No relevant conflicts of interest to declare.
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Samchuk, E. V. "Spatial and temporal identification of baric systems in low troposphere and midtroposphere." Ukrainian hydrometeorological journal, no. 19 (October 29, 2017): 41–47. http://dx.doi.org/10.31481/uhmj.19.2017.05.
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According to the terms of synoptic meteorology baric systems of low troposphere and midtroposphere are the main objects for research of large-scale circulation processes. Therefore, knowledge of their typical places of origin, their movement and characteristics is extremely critical.
 The purpose of this publication consists in analyzing existing methods and algorithms used for identification and tracking of baric systems in low troposphere and midtroposphere. This will allow for distinguishing the most output data and methods for further usage.
 Results. A unified methodology for identification and tracking of baric systems was developed. It is based on a step-by-step identification of isolated clusters of low and high pressure or geopotential height throughout the entire depth of low and middle troposphere from a ground level to a 500 hPa isobaric level. Centers of clusters on different levels over a specific period of time are integrated in a single vertical profile which represents a certain baric system. Tracking of baric system movement is conducted using the method of the nearest neighbor which was improved to ensure more accurate detection of fast-moving and short-living cyclones. A software application for automatic identification of baric systems in the Northern Hemisphere and generation of sets of kinematic maps of natural synoptic periods was developed. A database of baric systems which existed in the Northern hemisphere during 1976-2016 was also created.
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Løvås, Terese, Ehsan Houshfar, Mette Bugge, and Øyvind Skreiberg. "Automatic Generation of Kinetic Skeletal Mechanisms for Biomass Combustion." Energy & Fuels 27, no. 11 (2013): 6979–91. http://dx.doi.org/10.1021/ef400949h.
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Maeda, Kazuhiro, and Hiroyuki Kurata. "Automatic Generation of SBML Kinetic Models from Natural Language Texts Using GPT." International Journal of Molecular Sciences 24, no. 8 (2023): 7296. http://dx.doi.org/10.3390/ijms24087296.
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Kinetic modeling is an essential tool in systems biology research, enabling the quantitative analysis of biological systems and predicting their behavior. However, the development of kinetic models is a complex and time-consuming process. In this article, we propose a novel approach called KinModGPT, which generates kinetic models directly from natural language text. KinModGPT employs GPT as a natural language interpreter and Tellurium as an SBML generator. We demonstrate the effectiveness of KinModGPT in creating SBML kinetic models from complex natural language descriptions of biochemical reactions. KinModGPT successfully generates valid SBML models from a range of natural language model descriptions of metabolic pathways, protein–protein interaction networks, and heat shock response. This article demonstrates the potential of KinModGPT in kinetic modeling automation.
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Persson, Kristin A. "(Invited) Towards First-Principles Prediction of Early SEI Formation." ECS Meeting Abstracts MA2022-02, no. 2 (2022): 143. http://dx.doi.org/10.1149/ma2022-022143mtgabs.
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Despite decades of work, there is still considerable uncertainty regarding the major components of the solid-electrolyte interface (SEI) and its dynamic formation mechanism as a function of electrolyte and anode composition. Here we present a new data-driven first-principles framework using a combination of high-throughput calculations, reaction networks, machine learning and microkinetic modeling. Our automated methodology is based on a systematic generation of relevant species using a general fragmentation/recombination procedure which provides the basis for a vast thermodynamic reaction landscape, calculated with density functional theory. We explore this landscape using stochastic methods and shortest pathfinding algorithms, which yield the most likely reaction pathways which are then refined with transition state calculations and kinetic information. The results of the framework show promise in being able to automatically recover previous insights on single reaction pathways, as well as successfully predicting the early dynamics and competitive nature of the SEI formation. As examples, we present formation mechanisms of LEMC as compared to LEDC and recover the Peled-like separation of the SEI into inorganic and organic domains resulting from rich reactive competition. By conducting accelerated simulations at elevated temperature, we track SEI evolution, confirming the postulated reduction of lithium ethylene monocarbonate to dilithium ethylene monocarbonate and hydrogen gas. These findings furnish fundamental insights into the dynamics of SEI formation and demonstrate a path forward toward a predictive understanding of electrochemical passivation.
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Demidova, Anastasya, Migran Gevorkyan, Dmitry Kulyabov, Anna Korolkova, and Leonid Sevastianov. "The Automation of Stochastization Algorithm with Use of SymPy Computer Algebra Library." EPJ Web of Conferences 173 (2018): 05006. http://dx.doi.org/10.1051/epjconf/201817305006.
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SymPy computer algebra library is used for automatic generation of ordinary and stochastic systems of differential equations from the schemes of kinetic interaction. Schemes of this type are used not only in chemical kinetics but also in biological, ecological and technical models. This paper describes the automatic generation algorithm with an emphasis on application details.
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Panahi, H., M. Kobchenko, F. Renard, et al. "A 4D Synchrotron X-Ray-Tomography Study of the Formation of Hydrocarbon- Migration Pathways in Heated Organic-Rich Shale." SPE Journal 18, no. 02 (2012): 366–77. http://dx.doi.org/10.2118/162939-pa.
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Summary Recovery of oil from oil shales and the natural primary migration of hydrocarbons are closely related processes that have received renewed interest in recent years because of the ever tightening supply of conventional hydrocarbons and the growing production of hydrocarbons from low-permeability tight rocks. Quantitative models for conversion of kerogen into oil and gas and the timing of hydrocarbon generation have been well documented. However, lack of consensus about the kinetics of hydrocarbon formation in source rocks, expulsion timing, and how the resulting hydrocarbons escape from or are retained in the source rocks motivates further investigation. In particular, many mechanisms have been proposed for the transport of hydrocarbons from the rocks in which they are generated into adjacent rocks with higher permeabilities and smaller capillary entry pressures, and a better understanding of this complex process (primary migration) is needed. To characterize these processes, it is imperative to use the latest technological advances. In this study, it is shown how insights into hydrocarbon migration in source rocks can be obtained by using sequential high-resolution synchrotron X-ray tomography. Three-dimensional images of several immature “shale” samples were constructed at resolutions close to 5 μm. This is sufficient to resolve the source-rock structure down to the grain level, but very-fine-grained silt particles, clay particles, and colloids cannot be resolved. Samples used in this investigation came from the R-8 unit in the upper part of the Green River shale, which is organic rich, varved, lacustrine marl formed in Eocene Lake Uinta, USA. One Green River shale sample was heated in situ up to 400°C as X-ray-tomography images were recorded. The other samples were scanned before and after heating at 400°C. During the heating phase, the organic matter was decomposed, and gas was released. Gas expulsion from the low-permeability shales was coupled with formation of microcracks. The main technical difficulty was numerical extraction of microcracks that have apertures in the 5- to 30-μm range (with 5 μm being the resolution limit) from a large 3D volume of X-ray attenuation data. The main goal of the work presented here is to develop a methodology to process these 3D data and image the cracks. This methodology is based on several levels of spatial filtering and automatic recognition of connected domains. Supportive petrographic and thermogravimetric data were an important complement to this study. An investigation of the strain field using 2D image correlation analyses was also performed. As one application of the 4D (space + time) microtomography and the developed workflow, we show that fluid generation was accompanied by crack formation. Under different conditions, in the subsurface, this might provide paths for primary migration. Key words in this work include 4D microtomography, 3D image processing, shale, strain field analysis, kerogen, petroleum generation, primary migration, petrography, and thermogravimetry.
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Pessini, Federica, Antonio Olita, Yuri Cotroneo, and Angelo Perilli. "Mesoscale eddies in the Algerian Basin: do they differ as a function of their formation site?" Ocean Science 14, no. 4 (2018): 669–88. http://dx.doi.org/10.5194/os-14-669-2018.
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Abstract. The circulation of the western Mediterranean Sea (WMED) is dominated by highly variable and heterogeneous mesoscale circulation that is strongly driven by the formation and propagation of eddies (cyclonic and anticyclonic) mainly acting in the Algerian Basin. In order to investigate the spatial and temporal distribution of eddy generation and their respective paths in the Algerian Basin, the most energetic WMED portion, we use an automated detection and tracking hybrid method applied to 24 years of sea level anomaly (SLA) data. The algorithm is based on the computation of the Okubo–Weiss parameter in SLA closed loops and has been modified in order to fill the gaps in single eddy tracks. In this work we analysed both cyclonic and anticyclonic structures, but the conclusions will be focused mainly on anticyclones with a lifespan longer than 3 months, as they are characterized by higher kinetic energy, thereby potentially contributing to a large extent to the mesoscale characterization of the basin. In particular, we find that anticyclonic short-life eddies mostly occur in the northern portion of the domain, north of 39∘ N along the North Balearic Front (NBF). Such short-life eddies, labelled frontal eddies (FEs), are characterized by low translational velocity and a highly variable direction of propagation. We found a weak seasonality in their formation, with maxima in fall and winter. By contrast, anticyclonic longer-life eddies tend to arise in the southern part of the basin along the Algerian Current, with a clear maximum in spring. All the structures (both cyclonic and anticyclonic) originating along the Algerian Current are known as Algerian eddies (AEs). According to previous studies, we observe that these anticyclonic eddies mainly form east of 6.5∘ E and move eastward along the African coast to the Sardinia Channel, where they detach from the coast, continuing offshore and following the cyclonic intermediate circulation. We detect a region between 4.5 and 6.5∘ E where such eddies tend to converge and terminate their life. Finally, the analysis suggests that eddies formed in the northern and in the southern part of the Algerian Basin present some physical differences such as lifetime, kinetic energy and vorticity. Furthermore, the connection between the two parts in terms of eddy tracks is limited to a very small number of southbound (FEs) or northbound (AEs) structures crossing 39∘ N.
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Ince, D. C. "The Automatic Generation of Test Data." Computer Journal 30, no. 1 (1987): 63–69. http://dx.doi.org/10.1093/comjnl/30.1.63.
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DeMilli, R. A., and A. J. Offutt. "Constraint-based automatic test data generation." IEEE Transactions on Software Engineering 17, no. 9 (1991): 900–910. http://dx.doi.org/10.1109/32.92910.
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Magar, Anand, Adarsh Acharya, Sakshi Bothe, Harsh Bihani, and Tejas Desai. "Automatic Music Generation." International Journal for Research in Applied Science and Engineering Technology 11, no. 11 (2023): 1945–50. http://dx.doi.org/10.22214/ijraset.2023.56835.
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Abstract: Automatic generation of music is an evolving field that harnesses artificial intelligence and machine learning techniques to create musical compositions. This research paper investigates the application of Long Short-Term Memory (LSTM) networks and Markov chains for automatic music generation. We compare these two distinct models in terms of their capacity to produce creative, coherent, and musically appealing compositions. Our study involves data preprocessing, model training, and comprehensive evaluations to assess the performance of LSTM and Markov chains. The results indicate varying degrees of success and offer valuable insights into the advantages and limitations of each approach. By shedding light on the strengths and weaknesses of these models, we contribute to the ongoing discourse in automatic music generation. This research paves the way for future advancements in the field, ultimately enhancing the world of music composition and fostering creative exploration in AI-generated music.
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Zahoor, Saniya, and Shabir A.Sofi. "Automatic Podcast Generation." Journal of University of Shanghai for Science and Technology 23, no. 10 (2021): 22–28. http://dx.doi.org/10.51201/jusst/21/09700.
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A massive leap forward in the field of Human Computer Interaction in living memory has been achieved by the Google Duo system to sustain a natural sounding and coherent phone call with a human being without them being able to tell the difference. The computer system capitalized on recent developments in the field of Synthetic voice generation along with real time processing and response generation. The aim of this work is to replicate the success of that presentation as well as to build upon that body of work and generate useful content summaries which can be converted into high quality podcasts. In particular, our approach first comprises of extracting text data from web pages using various Natural Language Processing (NLP) tools as well as deep neural networks. After that it summarises text into byte sized chunks using extractive summarisation. Then, in the end it generates clear, high quality audio podcasts from the produced summaries using recently developed text to speech engines.
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Grenier, Dominique, Meyer Michel Samama, Sami Chtourou, and Jean-Luc Plantier. "Reverting Rivaroxaban Effect By Activated Factor X: Assessment Using Thrombin Generation Assay." Blood 124, no. 21 (2014): 2868. http://dx.doi.org/10.1182/blood.v124.21.2868.2868.
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Abstract Specific anti-activated factor X molecules are currently used for the prevention and the treatment of various thromboembolic disorders. However, despite a growing use of these molecules, they are still devoid of a reliable antidote. Rivaroxaban is a specific anticoagulant targeting activated factor X (FXa). Its potential in inhibiting FXa in vitro and in vivo was demonstrated during the characterization of the molecule. However, the use of FXa to revert the effect of Rivaroxaban in plasma was never studied. To do so the measurement of thrombin generation (TG) using the calibrated automatic thrombinoscope was performed. The ability of purified human FXa (Haematologic Technologies at 10, 50, 100, 500 and 1000 ng/ml) to induce TG in a platelet-poor plasma (PPP) without the induction of the coagulation was first evaluated. There was a FXa dose-dependent TG. The TG profile at concentrations up to 50 ng/ml of FXa was similar than the control profile obtained by a PPP activated by tissue-factor (0.5 pM) and phospholipids. Above 50 ng/ml FXa, the lag time decreased and the endogeneous thrombin potential (ETP) increased with the dose. This pattern revealed the thrombogenic potential of FXa and demonstrated that a dose of 50 ng/ml (or ≈1 nM) FXa was the maximum safer dose identified by this assay. A similar experiment was performed following the activation of plasma with 0.5 pM Tissue-Factor (TF) and 4 µM phospholipids (PL) and adding FXa at 31, 62, 125, 250 and 500 ng/ml. The kinetics of TG in the presence of the different amounts of FXa differed less than when coagulation was not induced. The lag times varies from 3 to 1.83 min with the increasing concentrations of FXa and the peak heights from 120 to 212 nM, being the two most affected parameters. Following the addition of 62 ng/ml (or ≈1.25 nM) FXa, the TG was more effective than a control plasma identically stimulated. Rivaroxaban was then spiked in the PPP at the therapeutic dose of 0.35 µg/ml (or 0.8 µM). Following 0.5 pM TF/4 µM PL stimulation, this dosage completely inhibits the TG. Increasing doses of FXa (31, 62, 125, 250 and 500 ng/ml) were then added and dose-dependently restores the TG. All the parameters of the TG profile were affected by the presence of FXa. The normalization was attained at the dose of 250 ng/ml (or 5 nM) FXa. A similar set of experiment was repeated by activating the plasma with cephalin, used as a model to mimic the initiation of the contact phase coagulation. The pattern of TG was different than following FT/PL activation. With cephalin and for all FXa concentrations identical peak aspects (velocity, ETP and peak height) were obtained differing only by their lag times and times-to-peak. Lag times and times to peak were shortened by the addition of FXa from 10.7 to 3.7 min and 13.2 to 6 min respectively. Plasma were then spiked by Rivaroxaban (0.35 µg/ml) and activated by cephalin in the presence of various concentrations of FXa (31, 62, 125, 250 and 500 ng/ml). A dose-dependent TG was demonstrated with the ETP, the peak height and the velocity increasing with the amount of FXa spiked whereas the lag time and time to peak were shortened. Following the induction by cephalin, the presence of FXa systematically shortened the TG when Rivaroxaban was present or not, when compared to the TG from control plasma. This work aimed to establish the antidote potential of the natural substrate of the anti-Xa molecules and limiting the risk in promoting a thrombotic response. The calibrated thrombin generation assay was used to determine the in vitro efficiency of FXa to induce a normal thrombin generation without primary induction or following an induction by TF/PL or cephalin. The doses of FXa required to normalize coagulation in the presence of Rivaroxaban and following induction were identified. These conditions will now be assessed in vivo in Rivaroxaban treated-mice. In addition of establishing the antidote properties of FXa, this data paved the way to compare its capacities, which are optimal to inhibit such inhibitor, to further antidote in development. Disclosures Grenier: LFB BIotechnologies: Employment. Chtourou:LFB Biotechnologies: Employment. Plantier:LFB Biotechnologies: Employment.
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KHAMIS, Abdelaziz, Reem BAHGAT, and Rana ABDELAZIZ. "Automatic Test Data Generation Using Data Flow Information." Doğuş Üniversitesi Dergisi 2, no. 1 (2000): 140–53. http://dx.doi.org/10.31671/dogus.2019.387.
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Nagy, Tibor, János Tóth, and Tamás Ladics. "Automatic kinetic model generation and selection based on concentration versus time curves." International Journal of Chemical Kinetics 52, no. 2 (2019): 109–23. http://dx.doi.org/10.1002/kin.21335.
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Esaki, Hirotake, Kiyoyuki Kagii, Taizo Umezaki, and Tetsumi Horikosi. "Automatic Generation of IC Part Shape Data." IEEJ Transactions on Industry Applications 127, no. 2 (2007): 152–57. http://dx.doi.org/10.1541/ieejias.127.152.
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Kasahara, Kaname, Nozomu Inago, and Tsuneaki Kato. "Automatic Generation of Synonyms Using Textual Data." Transactions of the Japanese Society for Artificial Intelligence 18, no. 4 (2003): 221–32. http://dx.doi.org/10.1527/tjsai.18.221.
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Gupta, S. K. S., S. D. Kaushik, C. H. Huang, J. R. Johnson, R. W. Johnson, and P. Sadayappan. "On the automatic generation of data distributions." ACM SIGPLAN Notices 28, no. 1 (1993): 82. http://dx.doi.org/10.1145/156668.156703.
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Offutt, A. Jefferson. "An integrated automatic test data generation system." Journal of Systems Integration 1, no. 3-4 (1991): 391–409. http://dx.doi.org/10.1007/bf02262722.
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Chawla, Priyanka, Inderveer Chana, and Ajay Rana. "Cloud-based automatic test data generation framework." Journal of Computer and System Sciences 82, no. 5 (2016): 712–38. http://dx.doi.org/10.1016/j.jcss.2015.12.001.
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Esaki, Hirotake, Kiyoyuki Kagii, Taizo Umezaki, and Tetsumi Horikoshi. "Automatic generation of IC component configuration data." Electrical Engineering in Japan 165, no. 4 (2008): 76–83. http://dx.doi.org/10.1002/eej.20686.
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Bhargava, Rahul. "Load Frequency Control with an Optimum Feedback Controller Using a DFIG Based Wind Turbine Generator." INTERNATIONAL JOURNAL OF SCIENTIFIC RESEARCH IN ENGINEERING AND MANAGEMENT 09, no. 05 (2025): 1–9. https://doi.org/10.55041/ijsrem48620.
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Abstract- It's critical for large-scale power systems to retain frequency and inter-area tie line power close to the scheduled values. Load Frequency Control is aided by Automatic Generation Control (AGC). Due to environmental concerns, renewable energy sources are given more emphasis for energy generation in the current scenario. If load generation is not balanced, frequency disturbances will increase as the penetration of wind energy using doubly fed induction generators (DFIG) in power systems grows. This study uses the DFIG and a unique approach to manage the frequency and tie-line power variation. To operate the integrated two-area power system, an ideal feedback controller is built and the kinetic energy of DFIG is extracted. The time domain simulation response in MATLAB will show the improvement in response following participation in DFIG. Keywords- Automatic generation control, optimum feedback controller, DFIG, LFC and simulation.
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Yastikli, N., and Z. Cetin. "AUTOMATIC 3D BUILDING MODEL GENERATIONS WITH AIRBORNE LiDAR DATA." ISPRS Annals of Photogrammetry, Remote Sensing and Spatial Information Sciences IV-4/W4 (November 13, 2017): 411–14. http://dx.doi.org/10.5194/isprs-annals-iv-4-w4-411-2017.
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LiDAR systems become more and more popular because of the potential use for obtaining the point clouds of vegetation and man-made objects on the earth surface in an accurate and quick way. Nowadays, these airborne systems have been frequently used in wide range of applications such as DEM/DSM generation, topographic mapping, object extraction, vegetation mapping, 3 dimensional (3D) modelling and simulation, change detection, engineering works, revision of maps, coastal management and bathymetry. The 3D building model generation is the one of the most prominent applications of LiDAR system, which has the major importance for urban planning, illegal construction monitoring, 3D city modelling, environmental simulation, tourism, security, telecommunication and mobile navigation etc. The manual or semi-automatic 3D building model generation is costly and very time-consuming process for these applications. Thus, an approach for automatic 3D building model generation is needed in a simple and quick way for many studies which includes building modelling. In this study, automatic 3D building models generation is aimed with airborne LiDAR data. An approach is proposed for automatic 3D building models generation including the automatic point based classification of raw LiDAR point cloud. The proposed point based classification includes the hierarchical rules, for the automatic production of 3D building models. The detailed analyses for the parameters which used in hierarchical rules have been performed to improve classification results using different test areas identified in the study area. The proposed approach have been tested in the study area which has partly open areas, forest areas and many types of the buildings, in Zekeriyakoy, Istanbul using the TerraScan module of TerraSolid. The 3D building model was generated automatically using the results of the automatic point based classification. The obtained results of this research on study area verified that automatic 3D building models can be generated successfully using raw LiDAR point cloud data.
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Koch, Steven E., Brian D. Jamison, Chungu Lu, et al. "Turbulence and Gravity Waves within an Upper-Level Front." Journal of the Atmospheric Sciences 62, no. 11 (2005): 3885–908. http://dx.doi.org/10.1175/jas3574.1.
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Abstract High-resolution dropwindsonde and in-flight measurements collected by a research aircraft during the Severe Clear-Air Turbulence Colliding with Aircraft Traffic (SCATCAT) experiment and simulations from numerical models are analyzed for a clear-air turbulence event associated with an intense upper-level jet/frontal system. Spectral, wavelet, and structure function analyses performed with the 25-Hz in situ data are used to investigate the relationship between gravity waves and turbulence. Mesoscale dynamics are analyzed with the 20-km hydrostatic Rapid Update Cycle (RUC) model and a nested 1-km simulation with the nonhydrostatic Clark–Hall (CH) cloud-scale model. Turbulence occurred in association with a wide spectrum of upward propagating gravity waves above the jet core. Inertia–gravity waves were generated within a region of unbalanced frontogenesis in the vicinity of a complex tropopause fold. Turbulent kinetic energy fields forecast by the RUC and CH models displayed a strongly banded appearance associated with these mesoscale gravity waves (horizontal wavelengths of ∼120–216 km). Smaller-scale gravity wave packets (horizontal wavelengths of 1–20 km) within the mesoscale wave field perturbed the background wind shear and stability, promoting the development of bands of reduced Richardson number conducive to the generation of turbulence. The wavelet analysis revealed that brief episodes of high turbulent energy were closely associated with gravity wave occurrences. Structure function analysis provided evidence that turbulence was most strongly forced at a horizontal scale of 700 m. Fluctuations in ozone measured by the aircraft correlated highly with potential temperature fluctuations and the occurrence of turbulent patches at altitudes just above the jet core, but not at higher flight levels, even though the ozone fluctuations were much larger aloft. These results suggest the existence of remnant “fossil turbulence” from earlier events at higher levels, and that ozone cannot be used as a substitute for more direct measures of turbulence. The findings here do suggest that automated turbulence forecasting algorithms should include some reliable measure of gravity wave activity.
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Csaszar, Elizabeth, Daniel Kirouac, Mei Yu, Caryn Ito, and Peter W. Zandstra. "Enhanced Human Hematopoietic Stem Cell Self-Renewal Enabled by Controlling Feedback Signaling From Lineage Committed Cells." Blood 118, no. 21 (2011): 1274. http://dx.doi.org/10.1182/blood.v118.21.1274.1274.
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Abstract Abstract 1274 Clinical outcomes of hematopoietic stem cell (HSC) transplantation are correlated with infused progenitor cell dose. Limited cell numbers in a typical umbilical cord blood (UCB) unit restricts the therapeutic potential of UCB and motivates ex vivo expansion of these cells. Strategies to grow HSCs have relied on the supplement of molecules acting directly on the stem cell population; however, in all cases, sustained HSC growth is limited by the concurrent growth of more mature cells and their endogenously produced inhibitory signaling factors. Despite increasing evidence for the important role of intercellular (between cell) communication networks, the identity and impact of non-stem cell autonomous feedback signaling remains poorly understood. Simultaneous kinetic tracking of more than 30 secreted factors produced during UCB culture, including TGF-b1, MIP-1b, and MCP-1, in combination with computational simulations of cell population dynamics, enabled us to develop a global control strategy predicted to reduce inhibitory paracrine signaling and, consequently, increase HSC self-renewal. By maintaining endogenously produced ligands at specified levels using a tuneable fed-batch (automated media dilution) strategy, we achieved significant improvements in expansions of total cell numbers (∼180-fold), CD34+ cells (∼80-fold), and NOD/SCID/IL-2Rgc-null (NSG) repopulating cells (∼11-fold, detected at limiting dilution). The fed-batch strategy has been integrated into an automated bioreactor, allowing for the generation of a clinically-relevant cell product after 12 days of culture, with minimal user manipulation. As this strategy targets the HSC environment and not the stem cells directly, it has the ability to act in combination with other expansion strategies to produce synergistic results. Unexpectedly, supplementation of the soluble protein, TAT-HOXB4, to the system, yielded the expected boost in progenitor expansion only in “sub-optimal” control conditions but not in the fed-batch system. Hypothesizing that the efficacy of HOXB4 may be dependent on the skewing of supportive vs. non-supportive cell populations, and the consequent impact of paracrine ligand production, we performed kinetic tracking of 20 hematopoietic cell types during several supportive (fed-batch, HOXB4 supplemented, Notch ligand Delta1 supplemented) vs. non-supportive (control) cultures. Meta analysis of these data revealed a non-autonomous link between HOXB4, increased megakaryocyte production, and stem cell proliferation, as well as between Notch delta-1 ligand, decreased myeloid cell production, and a decrease in the growth inhibition of stem cells. These predictions have been experimentally validated using co-cultures of sorted purified HSCs and CD41+ megakaryocykes and CD14+ monocytes. Our results identify complex connections between mature cell lineages and stem cell fate decisions and we expect to report a direct link between cell-cell interactions emerging from culture manipulations and the resulting impact on HSC self-renewal. Collectively, these studies support a dominant role for non-stem cell autonomous feedback signaling in the regulation of HSC self-renewal. Overcoming cell non-autonomous inhibition of HSC self-renewal has allowed for novel strategies to enhance HSC numbers ex vivo, thereby facilitating the production of clinically relevant quantities of stem and progenitor cells and enabling more effective strategies to treat hematologic disease. Disclosures: No relevant conflicts of interest to declare.
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Usmani, A. U., M. Jadidi, and G. Sohn. "AUTOMATIC ONTOLOGY GENERATION OF BIM AND GIS DATA." ISPRS - International Archives of the Photogrammetry, Remote Sensing and Spatial Information Sciences XLIII-B4-2020 (August 24, 2020): 77–80. http://dx.doi.org/10.5194/isprs-archives-xliii-b4-2020-77-2020.
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Abstract. Data represented in the form of geospatial context and detailed building information are prominently nurturing infrastructure development and smart city applications. Bringing open-formats from data acquisition level to information engineering accelerates geospatial technologies towards urban sustainability and knowledge-based systems. BIM and GIS technologies are known to excel in this domain. However, fundamental level differences lie among their data-formats, which developed integration methods to bridge the gap between these distinct domains. Several studies have conducted data, process, and application-level integration, considering the significance of collaboration among these information systems. Although integration methods have narrowed the gap of geometric dissimilarity, semantic inconsistency, and information loss yet add constraints towards achieving interoperability. Integration using semantic web technology is more flexible and enables process-level integration without changing data format and structure. However, due to its developing nature and complex BIM-GIS data-formats, most approaches adapted requires human intervention. This paper presents a method, named OGGD (Ontology Generation for Geospatial Data), that implements a formal method for automatic ontology generation from XSD documents using transformation patterns following three extensive processes; first, formalization of XSD elements and transformation patterns; the second process identifies corresponding patterns explicitly, and the last process generates ontology for XSD schema. XSD elements from open-standard data models of BIM and GIS, ifcXML and CityGML, are manipulated and transformed into a semantically rich OWL model. The ontology models created can be applicable for information-based integration systems that will nurture knowledge-discovery and urban applications.
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Al-Shammaa, Mohammed, and Maysam F. Abbod. "Automatic Generation of Fuzzy Classification Rules from Data." International Journal of Fuzzy Systems and Advanced Applications 9 (March 13, 2022): 63–68. http://dx.doi.org/10.46300/91017.2022.9.10.
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In this paper, we propose a method for automatic generation of fuzzy rules for data classification. The proposed method is based on subtractive clustering optimized using genetic algorithm. It searches for the FIS structure and number of rules that have the highest fitness value. Multiple performance measures are incorporated into the fitness function to address the problem of imbalanced data. Fitness function includes both training and validation to avoid data over-fitting. Classification performance of the proposed method is evaluated using different data sets and results are compared to those of a number of models generated by fuzzy cmeans clustering with various cluster numbers. Results show that the proposed method has better accuracy and a well compromised sensitivity and specificity.
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Aouad, Ghassan, Ming Sun, and Ishan Faraj. "Automatic generation of data representations for construction applications." Construction Innovation 2, no. 3 (2002): 151–65. http://dx.doi.org/10.1108/14714170210814748.
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Gotlieb, Arnaud, Bernard Botella, and Michel Rueher. "Automatic test data generation using constraint solving techniques." ACM SIGSOFT Software Engineering Notes 23, no. 2 (1998): 53–62. http://dx.doi.org/10.1145/271775.271790.
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