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A review on computer‐aided chemogenomics and drug repositioning for rational COVID ‐19 drug discovery
PublikacjaApplication of materials capable of energy harvesting to increase the efficiency and environmental adaptability is sometimes reflected in the ability of discovery of some traces in an environment―either experimentally or computationally―to enlarge practical application window. The emergence of computational methods, particularly computer-aided drug discovery (CADD), provides ample opportunities for the rapid discovery and development...
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Novel molecules containing structural features of NSAIDs and 1,2,3-triazole ring: Design, synthesis and evaluation as potential cytotoxic agents
PublikacjaFor the first time the template containing structural features of more than one NSAIDs and the 1,2,3-triazole ring was explored for the identification of potential cytotoxic agents. These new and complex molecules were predicted to be effective inhibitors of PDE4B by molecular modelling studies in silico. The multi-step synthesis of these compounds were carried out starting from the well-known drug nimesulide and involved the use...
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Keratin-Butyrate Scaffolds Promote Skin Wound Healing in Diabetic Rats Through Down-Regulation of IL-1β and Up-Regulation of Keratins 16 and 17
PublikacjaImpaired wound healing particularly in diabetics creates a significant healthcare burden. The study aimed to evaluate the effect of keratin-butyrate fibers (FKDP +0.1%NaBu) in a full-thickness skin wound model in 30 diabetic rats. Physicochemical examination showed that the obtained dressing possesses a heterogeneous structure and butyrate was slowly released into the wound. Moreover, the obtained dressing is nontoxic and supports...
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Analiza działania rozszerzonego obserwatora prędkości w szerokim zakresie zmian prędkości maszyny indukcyjnej
PublikacjaW artykule przedstawiono zagadnienia związane z odtwarzaniem zmiennych stanu maszyny indukcyjnej. Wykorzystano obserwator oparty na modelu matematycznym maszyny z dodatkowymi zmiennymi. Przedstawiono macierz stanu zlinearyzowanych równań błędu odtwarzania. Opisano sposób definiowania wyznacznika jakości na podstawie rozkładu biegunów obserwatora. Zaproponowano metodę korekcji wzmocnień wraz ze zmianą warunków pracy maszyny. Wykazano...
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Analiza ruchowa pojazdów szynowych z uwzględnieniem zmian napięcia na odbieraku prądu
PublikacjaW artykule zaproponowano metodykę wykonywania analizy ruchowej pojazdów szynowych, która uwzględnia wpływ zmieniającego się napięcia zasilającego pojazd a jego właściwości ruchowe. Wykorzystując model opracowany w programie Simulink wskazano na istotne różnice w czasie przejazdu oraz w wartościach napięcia zasilającego pomiędzy proponowanym sposobem analizy a powszechnie stosowanym podejściem uproszczonym.
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Eksperymentalne i numeryczne badania parametrów dynamicznych trybuny stalowej
PublikacjaTrybuny stalowe to konstrukcje, które odnajdują swoje zastosowanie głównie podczas wydarzeń sportowych, koncertów muzycznych oraz innych wydarzeń, którym towarzyszą rytmiczne aktywności widzów i głośna muzyka. Ze względu na smukłość oraz lekkość elementów z jakich wykonana jest konstrukcja trybuny jest ona bardzo łatwo wzbudzana przez ludzi do drgań. Z przeprowadzonej w pracy [4] analizy modalnej wynika, że masa ludzi prowadzi...
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Local atomic order in low Pt-content nanocatalysts investigated in situ by XAS
PublikacjaThe unique features of X-ray absorption spectroscopy allow investigations of nanosized catalysts for fuel cells under working conditions. We present the results of an experiment carried out on a low Pt content electrocatalyst supported by a mesoporous heteropolyacid salt and used at the cathode of a proton exchange membrane fuel cell (PEMFC). The analysis of the EXAFS signal at the Pt L3-edge indicates that upon operating the fuel...
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Measurement of the Development of a Learning IT Organization Supported by a Model of Knowledge Acquisition and Processing
PublikacjaThe paper presents a model of knowledge acquisition and processing for the development of learning organizations. The theory of a learning organization provides neither metrics nor tools to measure its development The authors' studies in this field are based on their experience gathered after projects realized in real IT organizations. The authors have described the construction of the model and the methods of its verification...
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Considerations about the applicability of the Reynolds equation for analyzing high-speed near field levitation phenomena
Publikacjaequation for analyzing near field levitation (NFL) phenomena. Two separate approaches were developed, experimentally verified, and applied to meet the research objective. One was based on the Reynolds equation and the other was based on general conservation equations for fluid flow solved using computational fluid dynamic (CFD). Comparing the calculation results revealed that, for certain operating conditions, differences in the...
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Białka aktywne biologicznie obecne w soku pokrochmalnianym
PublikacjaPodczas przetwarzania 1 tony ziemniaków na skrobię powstaje od 5 do 12 m3 odpadów ciekłych, które zawierają 300-410 g białek na 1 kg suchej masy. Trzy główne grupy białek to: białka typu patatyny, inhibitory proteaz o charakterze zasadowym, grupa białek złożonych o wielkości 22 kDa. Białka te mogą zostać wyizolowane z soku pokrochmalnianego w formie natywnej, a następnie wykorzystane jako: środki ochrony roślin, dodatki do żywności...
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Treatment Wetland for Overflow Stormwater Treatment: The Impact of Pollutant Particles Size
PublikacjaThe problem of stormwater treatment in urban areas has become increas- ingly crucial. It has been widely recognized that both mechanical and biological treatment of stormwater is necessary to protect surface water against pollution. Moreover, technology must be applied to ensure effective treatment in changing hydraulic conditions and to serve, to the extent possible, as a retention volume. Treatment wetland (TW) could be...
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Use of Brassica plants in the phytoremediation and biofumigation processes
PublikacjaIn recent decades, serious contamination of soils by heavy metals has been reported. It is therefore a matter of urgency to develop a new and efficient technology for removing contaminants from soil. Another aspect to this problem is that environmental pollution decreases the biological quality of soil, which is why pesticides and fertilizers are being used in ever-larger quantities. The environmentally friendly solutions to these...
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Anti-theft lab security system based on RFID
PublikacjaThe aim of the project is to design and create an electronic system, which can be used to protect laboratory equipment against theft. The main task of the system is to warn a person responsible for the facilities about any attempts made to steal equipment from a laboratory. In a case of an alarm situation, the system emits a sound signal. The concept of the anti-theft security system based on RFID was developed on the basis of...
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Sustainable monument preservation in architectural education
PublikacjaThe aim of this article is both to present the need for changes in architectural and conservation education in a modern, rapidly changing world, as well as to outline solutions to this problem. In the modern world, the field of objects that one intends to protect is expanding. It is necessary to adapt the architectural education to these changes. Due to the current pace of social, political...
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Improvement of the load capacity of the road overpass as a result of repairs after breakage caused by vehicle impacts
PublikacjaDamage of spans of the overpass caused by impact of underpassing vehicles are a frequent case. Objects that use prefabricated load-bearing elements that are not designed for such impacts are particularly exposed. After impact, such parts suffer extensive damage that need repair. Taking advantages of this recovery actions it is worth to perform strengthening that will protect object against possible future impacts. In this study...
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Ab-initio study of electrical and optical properties of allylamine
PublikacjaThe Density functional theory is one of most promising methodology in fast and accurate calculations of electrical and optical properties from the atomic basis. In this paper, we calculate electrical and optical properties of allylamine (2-propen 1- amine) in terms of accuracy and speed of calculations obtained by selection of DFT-1/2 method with ultrasoft Vanderbilt pseudopotentials. Comparison of density of states between...
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A Novel [4+2] Cycloaddition Reaction Involving Lawesson’s Reagent. Structure and Specific Fragmentations of a New Cyclic 1,2-Thiaphosphinane-4-one
PublikacjaA crude morpholine enamine of acetone treated with Lawesson’s reagent unexpectedly yielded a six-membered thiaphosphinane-4-one. This compound is the first example of a new class of heterocycles. It has been proven that it is formed from 4-methyl-2-morpholino-1,3-pentadiene which is usually present in crude morpholine enamine batches. A mechanism of this regioselective reaction was postulated and a characteristic chair-like conformation...
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Invariant Measures for Uncountable Random Interval Homeomorphisms
PublikacjaA necessary and sufficient condition for the iterated function system { f (·, ω) | ω ∈ } with probability P to have exactly one invariant measure μ∗ with μ∗((0, 1)) = 1 is given. The main novelty lies in the fact that we only require the transformations f (·, ω) to be increasing homeomorphims, without any smoothness condition, nei- ther we impose conditions on the cardinality of . In particular, positive Lyapunov exponents conditions...
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9 - Solid oxide fuel and electrolysis cells
PublikacjaIn this chapter, the fundamental reactions, the geometrical designs, the material requirements, and the status of SOFCs and SOECs are presented. In the following seven chapters, the most important components of an SOC are described and the chapter ends with a summary and outlook. The described components are: (i) oxygen-ion conductors (electrolyte), (ii) anode materials for SOFCs (cathode in SOEC mode), (iii) cathode materials...
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Ab-initio study of electrical and optical properties of allylamine
PublikacjaThe Density functional theory is one of most promising methodology in fast and accurate calculations of electrical and optical properties from the atomic basis. In this paper, we calculate electrical and optical properties of allylamine (2-propen 1- amine) in terms of accuracy and speed of calculations obtained by selection of DFT-1/2 method with ultrasoft Vanderbilt pseudopotentials. Comparison of density of states between molecule...
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Inequivalence of entanglement, steering, and Bell nonlocality for general measurements
PublikacjaEinstein-Podolsky-Rosen steering is a form of inseparability in quantum theory commonly acknowledged to be intermediate between entanglement and Bell nonlocality. However, this statement has so far only been proven for a restricted class of measurements, namely, projective measurements. Here we prove that entanglement, one-way steering, two-way steering, and nonlocality are genuinely different considering general measurements,...
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Optimization of microstructure and properties of acceptor-doped barium cerate
PublikacjaThe presented research concerns acceptor doped barium cerate and the attempts of improvement of its production method that would allow obtaining the solid electrolyte characterized by the particular properties. The authors suggest combining two production methods, molten salt synthesis and self-combustion, in order to achieve the compound material that has some of the advantages of both of the initial methods. An impact of nickel...
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Comparison of Selection Schemes in Evolutionary Method of Path Planning
PublikacjaThis article compares an impact of using various selection schemes on the quality of the solution for the problem of planning the path for a moving object using the evolutionary method. In study case problem of avoiding collisions at sea is analyzed. The modelled environment includes static constraints (lands, canals, etc.) and dynamic objects (moving ships). Article analyses behaviour of selection schemes in two similar environments...
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Chitosan-based electrospun nanofibers for encapsulating food bioactive ingredients: A review
PublikacjaToday, society has been more aware of healthy food products and related items containing bioactive compounds, which potentially contribute to human health. Unfortunately, the long-term stability and bioactivity of biologically active compounds against environmental factors compromise their target and effective action. In this way, lab-designed vehicles, such as nanoparticles and nanofibers, provide enough properties for their preservation...
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Chemical composition of shells from red (Strongylocentrotus franciscanum) and green (Strongylocentrotus droeba-chiensis) sea urchin
PublikacjaThe shells from red and green sea urchins accounted for 47.9 and 40.7% of their body weights, respectively. The red and green sea urchin shells contained 91.08 and 90.77% minerals and 4.06 and 4.99% proteins, respectively. The shells did not contain any chitin. Sea urchin shells had a relatively large amount of naphthoquinone pigments, 121 mg per 100 g in red and 163 mg per 100 g in green species. The small quantities of glucosamine...
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Chemistry of human breast milk – a comprehensive review of the composition and role of milk metabolites in child development
PublikacjaEarly nutrition has an enormous influence on a child's physiological function, immune system maturation and cognitive development. Human breast milk (HBM) is recognized as the gold standard for human infant nutrition. Accordingly to WHO report breastfeeding is consider as an unequalled way of providing ideal food to the infant, which is required for his healthy growth and development. HBM contains various macronutrients (carbohydrates,...
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On the Correlation of Lignocellulosic Filler Composition with the Performance Properties of Poly(ε-Caprolactone) Based Biocomposites
PublikacjaIn this work, three types of agricultural waste: olive stones (OS), date seed (DS) and wheat bran (WB) were applied as potential lignocellulosic fillers in poly(ε-caprolactone) (PCL) based biocomposites. Differences in composites’ performance were related to the higher content of proteins, noted for WB comparing to other fillers applied, which enhanced plasticization of PCL matrix. The mechanical properties of biocomposites were...
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Coffee silverskin as a potential bio-based antioxidant for polymer materials: Brief review
PublikacjaCoffee silverskin is one of the by-products generated by the coffee industry. Although it is not the most burdensome one, because it stands only for ~4.2 wt % of coffee, it seems like an auspicious raw material for industrial processes. Coffee silverskin is characterized by a relatively low moisture content of ~5–7%, so it often does not require quite energy-consuming drying processes. The chemical composition of coffee silverskin,...
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Electrochemical simulation of metabolic reduction and conjugation reactions of unsymmetrical bisacridine antitumor agents, C-2028 and C-2053
PublikacjaElectrochemistry (EC) coupled with analysis techniques such as liquid chromatography (LC) and mass spectrometry (MS) has been developed as a powerful tool for drug metabolism simulation. The application of EC in metabolic studies is particularly favourable due to the low matrix contribution compared to in vitro or in vivo biological models. In this paper, the EC(/LC)/MS system was applied to simulate phase I metabolism of the representative...
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A city and a wind farm. Landscape perspective
PublikacjaThe aim of the paper is to present the problems of the location of the wind farms in close neighbourhood to the historical cities, and the ways to minimize the potential landscape threats. The production of clean energy is obligatory in EU. In spite of how positive to the environment the wind energy production is, it may cause negative effects. The results of landscape studies of two towns in Poland prove that the location of such...
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Selected Methods for the Chemical Phosphorylation and Thiophosphorylation of Phenols
PublikacjaThis Focus Review gathers together a selection of methods for the chemical phosphorylation of phenols that employ three‐ and four‐coordinate phosphorus compounds. Phosphorylated scaffolds can exhibit enhanced properties compared to their non‐phosphorylated analogues, such as increased biological activity and increased/decreased solubility; as such, phosphorus compounds have gained more and more interest in organic and medicinal...
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Intelligent Autonomous Robot Supporting Small Pets in Domestic Environment
PublikacjaIn this contribution, we present preliminary results of the student project aimed at the development of an intelligent autonomous robot supporting small pets in a domestic environment. The main task of this robot is to protect a freely moving small pets against accidental stepping on them by home residents. For this purpose, we have developed the mobile robot which follows a pet and makes an alarm signal when a human is approaching....
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O problemie kolmatacji geowłóknin stosowanych w drenażach
PublikacjaSystemy drenażowe występujące przy obiektach drogowych są niezwykle istotnym elementem tych budowli. Jednym z materiałów, które obecnie powszechnie stosowane są w systemach drenażowych są geowłókniny. Ich zadaniem jest zabezpieczenie odwadnianego gruntu przed procesem sufozji, jak również ochrona drenażu przed zamuleniem przy jednoczesnym zachowaniu wodoprzepuszczalności. Typową trwałość drenażu, w zależności od rozwiązań, szacować...
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It applications for the remote testing of hearing.
PublikacjaTelemedycyna odgrywa coraz wiekszą rolę w diagnostyce i leczeniu osób z ubytkami słuchu. Jest to związane m.in. ze specyfiką badań audiometrycznych. Postęp technologiczny w dziedzinie aparatów słuchowych i implantów ślimakowych wymusza nowe metody diagnozy w audiologii, jak również w praktyce otolaryngologicznej. Serwis ''Telezdrowie'', w którym zaimplementowano liczne testy przesiewowe jest przykładem prowadzenia diagnostyki w...
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Hearing aid operating in acoustical free field
PublikacjaAparatowanie bardzo małych dzieci (od 5 miesiąca życia) za pomocą standardowych protez słuchu natrafia na wiele trudności natury praktycznej. Dotyczy to procesu dopasowania aparatu słuchowego, czyli doboru jego ustawień stosownie do aktualnych charakterystyk ubytku słuchu dzieci. Tymczasem wczesne aparatowanie jest zagadnieniem o ogromnym zanczeniu dla rozwoju słuchu, mowy i ogólnej inteligencji dziecka. Referat prezentuje uzyskane...
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The role of microbial coagulants on the physicochemical, proteolysis, microstructure and sensory properties of low-fat Edam cheese manufactured from ultrafiltered buffalo milk
PublikacjaThis work investigates the influence of using microbial coagulants, including Rhizomucor miehei (MCR) protease and Cryphonectria parasitica (MCC) protease, on the quality characteristics of low-fat Edam cheese made from ultrafiltered buffalo milk (LFUE). Concurrently, a benchmark with calf rennet (CR) has been also performed. Throughout a 90-day ripening period, the cheeses were assessed for their physicochemical features, proteolysis,...
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Targeting Spike‐ACE2 Interface of SARS‐CoV‐2 and its Omicron Variant: A Comparative Screening of Potential Inhibitors for Existing and Anticipating Variants Using Molecular Modelling Approach
PublikacjaThe recent COVID pandemic has shown major impact on public health and economic crisis. Despite the development of many vaccines and drugs against the severe acute respiratory syndrome (SARS) coronavirus 2, the pandemic still persists. The continued spread of the virus is largely driven by the emergence of viral variants such as α, β, γ, delta, epsilon spike, omicron and its subvariants (BA.1,2,3) which can evade the current vaccines...
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Enhancing the bioconversion rate and end products of black soldier fly (BSF) treatment – A comprehensive review
PublikacjaFood security remains a pressing concern in the face of an increasing world population and environmental challenges. As climate change, biodiversity loss, and water scarcity continue to impact agricultural productivity, traditional livestock farming faces limitations in meeting the growing global demand for meat and dairy products. In this context, black soldier fly larvae (BSFL) have emerged as a promising alternative for sustainable...
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Mechanochemical Energy Transduction during the Main Rotary Step in the Synthesis Cycle of F1-ATPase
PublikacjaF1-ATPase is a highly efficient molecular motor that can synthesize ATP driven by a mechanical torque. Its ability to function reversibly in either direction requires tight mechanochemical coupling between the catalytic domain and the rotating central shaft, as well as temporal control of substrate binding and product release. Despite great efforts and significant progress, the molecular details of this synchronized and fine-tuned...
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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublikacjaThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
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Antifungal Effect of Penicillamine Due to the Selective Targeting of L-Homoserine O-Acetyltransferase
PublikacjaDue to the apparent similarity of fungal and mammalian metabolic pathways, the number of established antifungal targets is low, and the identification of novel ones is highly desirable. The results of our studies, presented in this work, indicate that the fungal biosynthetic pathway of L-methionine, an amino acid essential for humans, seems to be an attractive perspective. The MET2 gene from Candida albicans encoding L-homoserine...
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Molecular Dynamics to Predict Cryo-EM: Capturing Transitions and Short-Lived Conformational States of Biomolecules
PublikacjaSingle-particle cryogenic electron microscopy (cryo-EM) has revolutionized the field of the structural biology, providing an access to the atomic resolution structures of large biomolecular complexes in their near-native environment. Today’s cryo-EM maps can frequently reach the atomic-level resolution, while often containing a range of resolutions, with conformationally variable regions obtained at 6 Å or worse. Low resolution...
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Antiproliferative, Antiangiogenic, and Antimetastatic Therapy Response by Mangiferin in a Syngeneic Immunocompetent Colorectal Cancer Mouse Model Involves Changes in Mitochondrial Energy Metabolism
PublikacjaIn spite of the current advances and achievements in cancer treatments, colorectal cancer (CRC) persists as one of the most prevalent and deadly tumor types in both men and women worldwide. Drug resistance, adverse side effects and high rate of angiogenesis, metastasis and tumor relapse remain one of the greatest challenges in long-term management of CRC and urges need for new leads of anticancer drugs. We demonstrate that CRC...
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Electrochemical determination of neurotransmitter serotonin using boron/nitrogen co-doped diamond-graphene nanowall-structured particles
PublikacjaElectrode fouling is a major issue in biological detection due to the adhesion of the protein itself and polymerization of biomolecules on the electrode surface, impeding the electron transfer ability and decreasing the current response. To overcome this issue, the use of anti-fouling material, especially boron-doped diamond (BDD) electrode, is an alternative way. However, the electrocatalytic activity of BDD is inadequate compared...
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Electrochemical investigations of Al-Mg alloy subjected to tensile test
PublikacjaWykonano pomiary elektrochemiczne stopu typu Al-Mg podczas badań mechanicznych polegających na rozciąganiu badanych próbek. W trakcie badań mechanicznych wykonywano badania za pomocą metody dynamicznej spektroskopii impedancyjnej (DEIS). Stwierdzono, że podczas realizacji rozciągania próbek zachodzi proces pękania warstwy pasywnej w wyniku którego rozpoczynają się procesy korozyjne. W zakresie plastycznym podczas rozciągania zarejestrowano...
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Vibration monitoring of structures in the light of the Polish and international requirements
PublikacjaThe paper concerns the wide range of strategies used to protect structures against man-made dynamic excitation. The most popular approaches applied worldwide are compared, and the main differences and similarities are summarized. The literature studies are supported by the results of the measurements performed on different types of real structures, which are sensitive and insensitive to the dynamic load. To make the conclusions...
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Zależność pomiędzy wielkością przedsiębiorstwa a strukturą źródeł finansowania
PublikacjaW artykule przedstawiono różnice w sposobie kształtowania struktury źródeł finansowania pomiędzy małymi, średnimi i dużymi przedsiębiorstwami. W trakcie przeprowadzonych badań uwzględniono 97 471 sprawozdań finansowych przedsiębiorstw, prowadzących działalność gospodarczą w 12 różnych działach polskiej gospodarki narodowej. Do potwierdzenia zróżnicowania struktury kapitałowej w zależności od wielkości przedsiębiorstwa wykorzystano...
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Biopolymer based nanomaterials in drug delivery systems: A review
PublikacjaDrug delivery systems (DDS) are used to achieve a higher therapeutic effects of a pharmaceutical drug or natural compound in a specific diseased site with minimal toxicological effect and these systems consists of liposomes, microspheres, gels, prodrugs and many. Nanotechnology is a rapidly developing multi-disciplinary science that ensures the fabrication of the polymers to nanometer scale for various medical applications. Uses...
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Application of safirinium N-hydroxysuccinimide esters to derivatization of peptides for high-resolution mass spectrometry, tandem mass spectrometry, and fluorescent labeling of bacterial cells
PublikacjaMass spectrometry methods are commonly used in the identification of peptides and biomarkers. Due to a relatively low abundance of proteins in biological samples, there is a need for the development of novel derivatization methods that would improve MS detection limits. Hence, novel fluorescent N-hydroxysuccinimide esters of dihydro-[1,2,4]triazolo[4,3-a]pyridin-2-ium carboxylates (Safirinium P dyes) have been synthesized. The...
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Configurational and Conformational Preferences in Stereoselective Acylations of N-Methyl-1,3-diaminopropane with Acyl Chlorides
PublikacjaEvidence for a stereoinduction profile of the reaction of N-methyl-1,3-diaminopropane with acyl chlorides was provided. A possibility to engage in intramol. CH2···HN and Cl···H-N interactions and the proton migration process to the methylamino group leads to the E secondary amides carrying the N···H+···N or N-H···N bridges, that show unusual spectroscopic images. Empirical relations between the ΔδC chem. shift differences,...