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Letteratura scientifica selezionata sul tema "Compound enumeration"

Autore: Grafiati

Pubblicato: 7 dicembre 2024

Ultima modifica: 31 luglio 2025

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Articoli di riviste sul tema "Compound enumeration"

1

Dagar, Komal, Shankar Gupta, Alamjot Singh та Vivek Asati. "In silico studies for the identification of potential thiazolidine-2,4-diones as α-amylase inhibitors". Pharmaspire 15, № 01 (2023): 48–53. http://dx.doi.org/10.56933/pharmaspire.2023.15109.

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Type 2 diabetes, which is characterized by hyperglycemia, is a chronic endocrine metabolic condition. α-amylase inhibitors may have a major therapeutic impact in type 2 diabetic mellitus. In the present study, virtual screening database preparation by R-group enumeration, virtual screening, docking study, and pharmacokinetics analysis was performed by taking α-amylase as a target. The results highlight the important binding features of novel thiazolidine-2,4-dione compounds as α-amylase inhibitors. An R-group enumeration study was performed for the generation of novel thiazolidine-2,4-dione de

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2

Osaka, Ichie, Jeffrey M. Hills, Sarah L. Kieweg, Heather E. Shinogle, David S. Moore, and P. Scott Hefty. "An Automated Image-Based Method for Rapid Analysis of Chlamydia Infection as a Tool for Screening Antichlamydial Agents." Antimicrobial Agents and Chemotherapy 56, no. 8 (2012): 4184–88. http://dx.doi.org/10.1128/aac.00427-12.

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ABSTRACTA major limitation in the identification of novel antichlamydial compounds is the paucity of effective methods for large-scale compound screening. The immunofluorescence assay is the preferred approach for accurate quantification of the intracellular growth ofChlamydia. In this study, an immunofluorescence image-based method (termed image-based automated chlamydial identification and enumeration [iBAChIE]) was customized for fully automated quantification ofChlamydiainfection using the freely available open-source image analysis software program CellProfiler and the complementary data

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3

Silverstein, J., T. F. Hess, N. Al Mutaari, and R. Brown. "Enumeration of Toxic Compound Degrading Bacteria in a Multi-Species Activated Sludge Biomass." Water Science and Technology 29, no. 7 (1994): 309–16. http://dx.doi.org/10.2166/wst.1994.0357.

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A most probable number (MPN) method has been described for the enumeration of bacteria responsible for 2,4-dinitrophenol (DNP) degradation in activated sludge cultures. Because of the encapsulation of cells within the activated sludge floc, the method of pretreatment may be critical for producing a homogeneous distribution of bacteria to insure accurate dilution and enumeration. In these experiments, pretreatments using mechanical shear and incubation of cultures in EDTA have been tested. The combination of mechanical shearing in a high speed blender and incubation in a 0.5% EDTA solution resu

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Smith, Bryan J. K., Melissa A. Boothe, Brice A. Fiddler, Tania M. Lozano, Russel K. Rahi, and Mark J. Krzmarzick. "Enumeration of Organohalide Respirers in Municipal Wastewater Anaerobic Digesters." Microbiology Insights 8s2 (January 2015): MBI.S31445. http://dx.doi.org/10.4137/mbi.s31445.

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Organohalide contaminants such as triclosan and triclocarban have been well documented in municipal wastewater treatment plants (WWTPs), but the degradation of these contaminants is not well understood. One possible removal mechanism is organohalide respiration by which bacteria reduce the halogenated compound. The purpose of this study was to determine the abundance of organohalide-respiring bacteria in eight WWTP anaerobic digesters. The obligate organohalide respiring Dehalococcoides mccartyi was the most abundant and averaged 3.3 × 107 copies of 16S rRNA genes per gram, while the Dehalobac

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Feuston, Bradley, Subhas Chakravorty, John Conway, et al. "Web Enabling Technology for the Design, Enumeration, Optimization and Tracking of Compound Libraries." Current Topics in Medicinal Chemistry 5, no. 8 (2005): 773–83. http://dx.doi.org/10.2174/1568026054637656.

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Mat Ripen, Adiratna, Hamidah Ghani, Chai Teng Chear, et al. "Whole exome sequencing identifies compound heterozygous variants of CR2 gene in monozygotic twin patients with common variable immunodeficiency." SAGE Open Medicine 8 (January 2020): 205031212092265. http://dx.doi.org/10.1177/2050312120922652.

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Objectives: A pair of female Malay monozygotic twins who presented with recurrent upper respiratory tract infections, hepatosplenomegaly, bronchiectasis and bicytopenia were recruited in this study. Both patients were suspected with primary immunodeficiency diseases. However, the definite diagnosis was not clear due to complex disease phenotypes. The objective of this study was to identify the causative gene mutation in these patients. Methods: Lymphocyte subset enumeration test and whole exome sequencing were performed. Results: We identified a compound heterozygous CR2 mutation (c.1916G>A

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Hamdy, Rania, Bahgat Fayed, Ahmed Mostafa, et al. "Iterated Virtual Screening-Assisted Antiviral and Enzyme Inhibition Assays Reveal the Discovery of Novel Promising Anti-SARS-CoV-2 with Dual Activity." International Journal of Molecular Sciences 22, no. 16 (2021): 9057. http://dx.doi.org/10.3390/ijms22169057.

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Unfortunately, COVID-19 is still a threat to humankind and has a dramatic impact on human health, social life, the world economy, and food security. With the limited number of suggested therapies under clinical trials, the discovery of novel therapeutic agents is essential. Here, a previously identified anti-SARS-CoV-2 compound named Compound 13 (1,2,5-Oxadiazole-3-carboximidic acid, 4,4′-(methylenediimino) bis,bis[[(2-hydroxyphenyl)methylene]hydrazide) was subjected to an iterated virtual screening against SARS-CoV-2 Mpro using a combination of Ligand Designer and PathFinder. PathFinder, a co

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Osaka, Ichie, and P. Scott Hefty. "Simple Resazurin-Based Microplate Assay for Measuring Chlamydia Infections." Antimicrobial Agents and Chemotherapy 57, no. 6 (2013): 2838–40. http://dx.doi.org/10.1128/aac.00056-13.

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ABSTRACTThe conventional method for quantification ofChlamydiainfection using fluorescence microscopy typically involves time- and labor-intensive manual enumeration, which is not applicable for a large-scale analysis required for an inhibitory compound screen. In this study, an alamarBlue (resazurin) assay was adopted to measureChlamydiainfection by measuring the redox capability of infected host cells in a 96-well format. The assay provided measurements comparable to those of the conventional microscopy method while drastically reducing the time required for analysis.

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Stachelska, Milena Alicja, Adam Ekielski, Piotr Karpiński, Tomasz Żelaziński, and Bartosz Kruszewski. "New Genetic Determinants for qPCR Identification and the Enumeration of Selected Lactic Acid Bacteria in Raw-Milk Cheese." Molecules 29, no. 7 (2024): 1533. http://dx.doi.org/10.3390/molecules29071533.

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Lactic acid bacteria (LAB) play an important role in the ripening of cheeses and contribute to the development of the desired profile of aroma and flavor compounds. Therefore, it is very important to monitor the dynamics of bacterial proliferation in order to obtain an accurate and reliable number of their cells at each stage of cheese ripening. This work aimed to identify and conduct a quantitative assessment of the selected species of autochthonous lactic acid bacteria from raw cow’s milk cheese by the development of primers and probe pairs based on the uniqueness of the genetic determinants

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Meringer, Markus, and H. James Cleaves. "Exploring astrobiology using in silico molecular structure generation." Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 375, no. 2109 (2017): 20160344. http://dx.doi.org/10.1098/rsta.2016.0344.

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The origin of life is typically understood as a transition from inanimate or disorganized matter to self-organized, ‘animate’ matter. This transition probably took place largely in the context of organic compounds, and most approaches, to date, have focused on using the organic chemical composition of modern organisms as the main guide for understanding this process. However, it has gradually come to be appreciated that biochemistry, as we know it, occupies a minute volume of the possible organic ‘chemical space’. As the majority of abiotic syntheses appear to make a large set of compounds not

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Più fonti

Tesi sul tema "Compound enumeration"

1

Jira, Jindalertudomdee. "Chemical Compound Enumeration and Host-Pathogen Protein Interaction Prediction by Graph-Based Approaches." 京都大学 (Kyoto University), 2016. http://hdl.handle.net/2433/217198.

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Zhao, Yang. "Computational Methods for Analyzing Chemical Graphs and Biological Networks." 京都大学 (Kyoto University), 2014. http://hdl.handle.net/2433/188864.

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3

Pikalyova, Regina. "Chémoinformatique des chimiothèques à codage ADN : design, génération in silico, gestion, analyse, et comparaison." Electronic Thesis or Diss., Strasbourg, 2024. http://www.theses.fr/2024STRAF032.

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Cette thèse est dédiée à la génération de l'espace virtuel de 2.5K chimiothèques codées par ADN et à leur analyse chémoinformatique détaillée par structures et propriétés. Des méthodologies basées sur GTM permettant de comparer rapidement et de sélectionner les chimiothèques DEL optimales parmi des milliers de possibilités en fonction de la similarité structurelle ou par propriétés par rapport à une base de données de référence ont été développées. Le problème de l'énumération combinatoire des composés a été abordé en développant un modèle d’apprentissage

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Martinez, Jorge Matadamas. "AXEL : a framework to deal with ambiguity in three-noun compounds." Thesis, Brunel University, 2010. http://bura.brunel.ac.uk/handle/2438/4774.

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Cognitive Linguistics has been widely used to deal with the ambiguity generated by words in combination. Although this domain offers many solutions to address this challenge, not all of them can be implemented in a computational environment. The Dynamic Construal of Meaning framework is argued to have this ability because it describes an intrinsic degree of association of meanings, which in turn, can be translated into computational programs. A limitation towards a computational approach, however, has been the lack of syntactic parameters. This research argues that this limitation could be ove

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Libri sul tema "Compound enumeration"

1

Pólya, George. Combinatorial enumeration of groups, graphs, and chemical compounds. Springer-Verlag, 1987.

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Read, ed. Combinatorial enumeration of groups: graphs and chemical compounds. Springer, 1987.

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Pólya, George. Combinatorial enumeration of groups, graphs, and chemical compounds. Springer-Verlag, 1987.

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Pólya, G., and R. C. Read. Combinatorial Enumeration of Groups, Graphs, and Chemical Compounds. Springer New York, 1987. http://dx.doi.org/10.1007/978-1-4612-4664-0.

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5

Polya, Georg. Combinatorial Enumeration of Groups, Graphs, and Chemical Compounds. Island Press, 1987.

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6

Pólya, George. Combinatorial Enumeration of Groups, Graphs, and Chemical Compounds. Springer, 2012.

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Pólya, George. Combinatorial Enumeration of Groups, Graphs, and Chemical Compounds. Springer New York, 2011.

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Capitoli di libri sul tema "Compound enumeration"

1

Pikalyova, Regina, Tagir Akhmetshin, Dragos Horvath, and Alexandre Varnek. "Combinatorial Library Neural Network (CoLiNN) for Combinatorial Library Visualization Without Compound Enumeration." In Lecture Notes in Computer Science. Springer Nature Switzerland, 2024. http://dx.doi.org/10.1007/978-3-031-72359-9_1.

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2

Fujita, Shinsaku. "Compounds with Rotatable Ligands." In Symmetry and Combinatorial Enumeration in Chemistry. Springer Berlin Heidelberg, 1991. http://dx.doi.org/10.1007/978-3-642-76696-1_20.

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Pólya, G., and R. C. Read. "Chemical Compounds." In Combinatorial Enumeration of Groups, Graphs, and Chemical Compounds. Springer New York, 1987. http://dx.doi.org/10.1007/978-1-4612-4664-0_4.

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4

Fujita, Shinsaku. "Desymmetrization of Para-Achiral Compounds." In Symmetry and Combinatorial Enumeration in Chemistry. Springer Berlin Heidelberg, 1991. http://dx.doi.org/10.1007/978-3-642-76696-1_11.

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5

Fujita, Shinsaku. "Compounds with Achiral Ligands Only." In Symmetry and Combinatorial Enumeration in Chemistry. Springer Berlin Heidelberg, 1991. http://dx.doi.org/10.1007/978-3-642-76696-1_15.

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Fujita, Shinsaku. "Compounds with Achiral and Chiral Ligands." In Symmetry and Combinatorial Enumeration in Chemistry. Springer Berlin Heidelberg, 1991. http://dx.doi.org/10.1007/978-3-642-76696-1_19.

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Pólya, G., and R. C. Read. "Introduction." In Combinatorial Enumeration of Groups, Graphs, and Chemical Compounds. Springer New York, 1987. http://dx.doi.org/10.1007/978-1-4612-4664-0_1.

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Pólya, G., and R. C. Read. "Groups." In Combinatorial Enumeration of Groups, Graphs, and Chemical Compounds. Springer New York, 1987. http://dx.doi.org/10.1007/978-1-4612-4664-0_2.

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Pólya, G., and R. C. Read. "Graphs." In Combinatorial Enumeration of Groups, Graphs, and Chemical Compounds. Springer New York, 1987. http://dx.doi.org/10.1007/978-1-4612-4664-0_3.

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Pólya, G., and R. C. Read. "Asymptotic Evaluation of the Number of Combinations." In Combinatorial Enumeration of Groups, Graphs, and Chemical Compounds. Springer New York, 1987. http://dx.doi.org/10.1007/978-1-4612-4664-0_5.

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Atti di convegni sul tema "Compound enumeration"

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Gieg, Lisa, Mohita Sharma, Jennifer Sargent, et al. "Synergistic Effect of Biocide and Biodispersant to Mitigate Microbiologically Influenced Corrosion in Crude Oil Transmission Pipelines." In CORROSION 2020. NACE International, 2020. https://doi.org/10.5006/c2020-15090.

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Abstract Crude oil transmission pipelines are treated with chemicals to mitigate microbiologically influenced corrosion (MIC). Often such corrosion occurs at over and under bends in pipelines due to the flow regimes that allow the suspended particulate in the crude to settle. The resulting sludge, typically composed of oil, water, and sand, can be microbiologically active. For testing, sludge is collected from the nose of a cleaning pig, but the locations of sample collection are frequently remote. As such, onsite testing of the sludge can be impractical, thus samples usually travel long dista

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Raymond, Jon, Earl Parnell, and Jennifer Fichter. "Determining Effective Antimicrobial Treatments for Long-Term Protection of Hydrocarbon Reservoirs." In CORROSION 2014. NACE International, 2014. https://doi.org/10.5006/c2014-3879.

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Abstract Conventional antimicrobial treatments for hydraulic fracturing fluids, flow-back water, and produced water include chemistries such as glutaraldehyde, tetrakis-(hydroxymethyl)-phosphonium sulfate (THPS), and quaternary ammonium compounds (quats). While the rapid microbial kill efficacy of these biocides in top-side water sources are effectively demonstrated by traditional microbial enumeration methodologies, such as “bug-bottles”, the long-term potential for protection of the oil and gas reservoirs from microbial-induced damage has received limited attention. A stringent two-stage lab

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3

Abbas, Ridha H., Juan F. Hernandez, and Faisal M. Al Abbas. "Holding Water — a Corrosion Management Program in a Vast Seawater Injection System." In CORROSION 2020. NACE International, 2020. https://doi.org/10.5006/c2020-14764.

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Abstract A high-capacity treatment plant filters, disinfects and de-oxygenates seawater to both control corrosion through a massive and aging pipeline network and to meet oil reservoir injection (water flooding) specifications. A Corrosion Management Program (CMP) was developed and implemented to address inter-related corrosion challenges of water quality and pipeline integrity management. The CMP provides decision support by seeking to estimate the cost of corrosion management for water treatment compared to the economics associated with risk and reliability. Using costs vs. benefits measures

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Lu, Yitong, Anuruddha Bhattacharjee, Daniel Biediger, MinJun Kim, and Aaron T. Becker. "Enumeration of Polyominoes & Polycubes Composed of Magnetic Cubes." In 2021 IEEE/RSJ International Conference on Intelligent Robots and Systems (IROS). IEEE, 2021. http://dx.doi.org/10.1109/iros51168.2021.9636784.

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"Assessment of Formula-Based Structural Annotation of Humic Substances by Mild Chemical Derivatization and Mass Spectrometry." In Sixth International Conference on Humic Innovative Technologies "Humic Substances and Eco-Adaptive Technologies ”(HIT – 2021). Non-Commercial Partnership "Center for Biogenic Resources "Humus Sapiens" (NP CBR "Humus Sapiens"), 2021. http://dx.doi.org/10.36291/hit.2021.mikhnevich.002.

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Natural organic matter (NOM) plays an important role in the environment and its chemical properties and molecular composition reflect balance between mineralization and sequestration of organic carbon. Ultrahigh resolution mass spectrometry (e.g., FTICR MS) provides essential molecular information about NOM. However, NOM molecular heterogeneity prevents application of tandem MS experiments and direct structural information is ultimately missing leaving opportunities to only ambiguous formula-based annotation. The main aim of this work was to develop a chemical workflow to reliably examine the

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Esmail, Essam L. "Nomographs for Enumeration of Clutching Sequences Associated With Epicyclic-Type Automatic Transmission Mechanisms." In ASME 2008 International Mechanical Engineering Congress and Exposition. ASMEDC, 2008. http://dx.doi.org/10.1115/imece2008-66409.

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A new methodology for the enumeration of feasible clutching sequences for a given epicyclic gear mechanism (EGM) is presented using the kinematic nomographs of epicyclic-type transmission mechanisms. From such nomographs, the kinematic characteristics of an epicyclic gear mechanism can be expressed in terms of the gear ratios of its gear pairs. From a single nomograph, the angular velocities for all of the coaxial links can be estimated and compared directly without specifying the exact size of each gear. In addition, the angular velocities can be arranged in a descending sequence without usin

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Narikawa, N., S. Fujimoto, N. Sasaki, and S. Azuma. "An Automated Layout Design System for Industrial Plant Piping." In ASME 1991 International Computers in Engineering Conference and Exposition. American Society of Mechanical Engineers, 1991. http://dx.doi.org/10.1115/cie1991-0001.

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Abstract This paper describes a new approach to an automated layout design system for industrial plant piping. The routing system, which is the main part of this layout system, is composed of three steps, according to the practical layout design process. By dividing the layout design into the optimal routing phase (Step 1, Step 2) and the arrangement phase (Step 3), it is possible to design without depending on the routing order, and with small computer memory storage capacities. The optimal route is obtained by using the routing algorithm and heuristic search, based on expert knowledge. The a

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Yang, Ting-Li, and Fang-Hua Yao. "Topological Characteristics and Automatic Generation of Structural Synthesis of Planar Mechanisms Based on the Ordered Single-Opened-Chains." In ASME 1994 Design Technical Conferences collocated with the ASME 1994 International Computers in Engineering Conference and Exhibition and the ASME 1994 8th Annual Database Symposium. American Society of Mechanical Engineers, 1994. http://dx.doi.org/10.1115/detc1994-0180.

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Abstract This paper presents a new viewpoint about structural composition of planar kinematic chains: single-opened-chains, which is composed of binary links, are regarded as basic structural units of mechanisms. The constraint characteristics (the constraint factors, Δj) of single opened chains and the constraint characteristics (the coupled degree κ and the κ-algorithm) of mechanical networks are presented. Thus a kinematic chain with v independent loops is regarded to be composed of one basic link and v single-opened-chains in regular sequence. Based on the ordered single-opened-chains and

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Horvath, Roman, and Veronika Stoffova. "PROJECT-BASED AND PROBLEM-BASED TEACHING PROGRAMMING." In eLSE 2021. ADL Romania, 2021. http://dx.doi.org/10.12753/2066-026x-21-068.

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The article reports on the methods and forms of teaching programming used by the authors during the COVID-19 coronavirus pandemic. It describes how the authors communicated and discussed with the learners, how they changed and adapted their full-time teaching to distance learning, how they managed to maintain and adapt the best practices from classical teaching programming, and how teaching aids were changed to practical distance learning. They also analyse the suitability of some methods for distance learning such as problem-based and project-based teaching programming; programming according

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He, Guoxi, Yongtu Liang, Limin Fang, Qi Zheng, and Liying Sun. "Optimization of Planning and Scheduling of Refinery Product Based on Downstream Requirements." In 2016 11th International Pipeline Conference. American Society of Mechanical Engineers, 2016. http://dx.doi.org/10.1115/ipc2016-64150.

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The disconnect between the optimization systems of upstream production and downstream demand poses a legitimate problem for China’s refined oil industry in terms of overproduction waste. Established methods only partially model the refinery system and are unable to integrate detailed production plans or meet market demands. Therefore, the research on production scheduling optimization combined with the demand of downstream pipeline network has very real applications that not only reduce the consumption of human/material resources, but also increase economic efficiency. This paper aims to optim

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