Iskanje po katalogu digitalne knjižnice

Opis: Since December 2019, the new SARS-CoV-2-related COVID-19 disease has caused a global pandemic and shut down the public life worldwide. Several proteins have emerged as potential therapeutic targets for drug development, and we sought out to review the commercially available and marketed SARS-CoV-2-targeted libraries ready for high-throughput virtual screening (HTVS). We evaluated the SARS-CoV-2-targeted, protease-inhibitor-focused and protein–protein-interactioninhibitor-focused libraries to gain a better understanding of how these libraries were designed. The most common were ligand- and structure-based approaches, along with various filtering steps, using molecular descriptors. Often, these methods were combined to obtain the final library. We recognized the abundance of targeted libraries offered and complimented by the inclusion of analytical data; however, serious concerns had to be raised. Namely, vendors lack the information on the library design and the references to the primary literature. Few references to active compounds were also provided when using the ligand-based design and usually only protein classes or a general panel of targets were listed, along with a general reference to the methods, such as molecular docking for the structure-based design. No receptor data, docking protocols or even references to the applied molecular docking software (or other HTVS software), and no pharmacophore or filter design details were given. No detailed functional group or chemical space analyses were reported, and no specific orientation of the libraries toward the design of covalent or noncovalent inhibitors could be observed. All libraries contained pan-assay interference compounds (PAINS), rapid elimination of swill compounds (REOS) and aggregators, as well as focused on the drug-like model, with the majority of compounds possessing their molecular mass around 500 g/mol. These facts do not bode well for the use of the reviewed libraries in drug design and lend themselves to commercial drug companies to focus on and improve.
Ključne besede: targeted libraries, focused libraries, computer-aided drug design, virtual screening, in silico drug design, high-throughput virtual screening
Objavljeno v DKUM: 09.04.2025; Ogledov: 0; Prenosov: 3
Celotno besedilo (6,53 MB)
Gradivo ima več datotek! Več...

Opis: The publication presents an overview of research activities and research achievements at the Faculty of Mechanical Engineering. The following research areas are presented: Energy, process and environmental engineering, Construction and design, Materials technology, Mechanics, Production engineering, Textile materials and design, and Fundamental and general areas. Individual laboratories and centers of the faculty present their research equipment, service offerings for industry, collaborations with companies and other institutions, the most prominent publications, patents, national and international projects and the most important research achievements.
Ključne besede: energy, construction and design, process and environmental engineering, materials technology, mechanics, production engineering, textile materials and design
Objavljeno v DKUM: 01.04.2025; Ogledov: 0; Prenosov: 2
Celotno besedilo (18,43 MB)
Gradivo ima več datotek! Več...

Opis: This paper presents a platform developed for automated magnetic flux density measurement. The platform was designed to be used to measure the magnetic flux density of the transmitter/receiver coil of an inductive wireless power transfer system. The magnetic flux density of a transmitter was measured using a small, 3-axis search coil. The search coil was positioned in the 3D space above the transmitter coil using a 3D positioning mechanism and used to measure the magnetic flux density at a specific point. The data was then sent to a computer application to visualize the magnetic flux density. The measured magnetic field could be used in combination with electromagnetic field solvers to design and optimize transmitter coils for inductive wireless power transfer systems.
Ključne besede: magnetic field, magnetic flux density, IPT, transmitter coil design, EM solver
Objavljeno v DKUM: 01.04.2025; Ogledov: 0; Prenosov: 1
Celotno besedilo (8,16 MB)
Gradivo ima več datotek! Več...

Opis: Microplastics (MPs) that are ubiquitous in aquatic environments and industrial wastewater streams have been identified as key hotspots of MP contamination. It is significantly more effective to remove MPs at these points before they enter municipal wastewater streams. This study is an environmental assessment of a novel pilot plant for the removal of MPs and the chemical oxygen demand (COD) from wastewater with a high MP contamination from a plastics manufacturer in Germany. MP removal is based on physical–chemical agglomeration–fixation by organosilanes. Formed agglomerates are separated using a belt filter. The COD is removed by an adsorption process. The resulting MP removal was 98.0 ± 1.1% by mass and 99.9987 ± 0.0007% by particle count, while the COD was reduced by 96 ± 2.7%. The system’s sustainability is evaluated using the Life Cycle Assessment methodology, evaluating system construction, operation, and end-of-life considerations. The current pilot plant is also compared to an optimized circular and sustainable upgrade, where drivers of environmental burdens are eliminated and collected MPs are reused. Significant reductions in environmental impact categories are achieved and the global warming potential is reduced by 96%. This study provides a sustainability assessment of a novel technology and circular solution to remove MPs from highly polluted industrial wastewater.
Ključne besede: microplastics, life cycle assessment, impact analysis, removal technology, sustainable process design, carbon footprint, water quality, circular economy
Objavljeno v DKUM: 14.03.2025; Ogledov: 0; Prenosov: 4
Celotno besedilo (1,70 MB)

Opis: A series of distributed flexural cracks develop in reinforced concrete flexural elements under the working load. The control of cracking in reinforced concrete is an important issue that must be considered in the design of reinforced concrete structures. Crack width and spacing are influenced by several factors, including the steel percentage, its distribution in the concrete crosssection, the concrete cover, and the concrete properties. In practice, however, a compromise must be made between cracking, durability, and ease of construction and cost. This study presents the optimal design of a reinforced concrete cross-section, using the optimization method of mixed-integer nonlinear programming (MINLP) and the Eurocode standard. The MINLP optimization model OPTCON was developed for this purpose. The model contains the objective function of the material cost considering the crack width requirements. The crack width requirements can be satisfied by direct calculation or by limiting the bar spacing. Due to the different crack width requirements, two different economic designs of reinforced concrete sections were proposed. The case study presented in this study demonstrates the value of the presented optimization approach. A direct comparison between different methods for modelling cracking in reinforced concrete cross-sections, which has not been done before, is also presented.
Ključne besede: crack width, cost optimization, optimal design, mixed-integer non-linear programming
Objavljeno v DKUM: 13.03.2025; Ogledov: 0; Prenosov: 1
Celotno besedilo (1,55 MB)
Gradivo ima več datotek! Več...