Wyniki wyszukiwania dla: FUNCTIONAL PROPERTIES
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Effects of consecutive apneas on pial artery pulsation and subarachnoid width in healthy subjects
PublikacjaHypercapnia is known to dilate the pial artery, disrupt cerebral autoregulation and increase pial artery pulsation. The cerebral blood flow velocity (CBFV) response to hypercapnia is biphasic. Below the threshold for the increase of blood pressure (BP) with carbon dioxide partial pressure (pCO2), the CBFV measurement reflects vascular reactivity to pCO2 alone at a constant BP. Above this threshold, the CBFV measurement provides...
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A modern solid waste management strategy – the generation of new by-products
PublikacjaTo benefit the environment and society, EU legislation has introduced a ‘zero waste’ strategy, in which waste material should be converted to resources. Such legislation is supported by the solid waste hierarchy concept, which is a set of priorities in waste management. Under this concept, municipal solid waste plants (MSWPs) should be equipped with sorting and recycling facilities, composting/incineration units and landfill prisms...
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Sewage sludge co-pyrolysis with agricultural/forest residues: A comparative life-cycle assessment
PublikacjaThis study aims to determine the sustainability and energy efficiency of co-pyrolysis scenarios as treatment processes for municipal sewage sludge through a life cycle assessment (LCA). In addition, sensitivity and energy recovery analyses are conducted to determine the possible methods for optimizing the co-pyrolysis process from a circular bioeconomy perspective. Corncob and wood residue have been selected as potential co-feed...
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Comparative molecular dynamics study of dimeric and monomeric forms of HIV-1 protease in ligand bound and unbound state
PublikacjaHuman immunodeficiency virus type 1 protease (HIV-1 PR) is a viral-encoded enzyme that forms a homodimer. HIV-1 PR is essential for replication and assembly of the virus and inactivation of HIV-1 PR enzyme causes production of immature, noninfectious viral particles and thus HIV-1 PR is an attractive target in anti-AIDS drug design. In our current work, we performed molecular dynamics (MD) calculations (500 ns) for two different...
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Intelligent Decision Forest Models for Customer Churn Prediction
PublikacjaCustomer churn is a critical issue impacting enterprises and organizations, particularly in the emerging and highly competitive telecommunications industry. It is important to researchers and industry analysts interested in projecting customer behavior to separate churn from non‐churn consumers. The fundamental incentive is a firm’s intent desire to keep current consumers, along with the exorbitant expense of gaining new ones....
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Layer-by-layer polymer deposited fabrics with superior flame retardancy and electrical conductivity
PublikacjaSmart and multifunctional textiles and fabrics are progressively developing, such that multifunctional fabrics are becoming more widespread. We elaborated herein multi-layered flax fabrics with superior flame retardancy and conductivity, which revealed fireproof feature while keeping conductivity during burning. The flax fabric was reinforced by layer-by-layer (LbL) deposition of sodium polyacrylate (SPA), polyethylenimine (PEI),...
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Deep learning for ultra-fast and high precision screening of energy materials
PublikacjaSemiconductor materials for energy storage are the core and foundation of modern information society and play important roles in photovoltaic system, integrated circuit, spacecraft technology, lighting applications, and other fields. Unfortunately, due to the long experiment period and high calculation cost, the high-precision band gap (the basic characteristic parameter) of semiconductor is difficult to obtain, which hinders the...
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Generalized Formulation of Response Features for Reliable Optimization of Antenna Input Characteristics
PublikacjaElectromagnetic (EM)-driven parameter adjustment has become imperative in the design of modern antennas. It is necessary because the initial designs rendered through topology evolution, parameter sweeping, or theoretical models, are often of poor quality and need to be improved to satisfy stringent performance requirements. Given multiple objectives, constraints, and a typically large number of geometry parameters, the design closure...
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Novel steroid sulfatase inhibitors based on N ‐thiophosphorylated 3‐(4‐aminophenyl)‐coumarin‐7‐O‐sulfamates
PublikacjaIn the present work, we described convenient methods for the synthesis ofN-thiophosphorylated 3-(4-aminophenyl)-coumarin-7-O-sulfamates as steroid sulfatase(STS) inhibitors. To design the structures of the potential STS inhibitors, molecularmodeling techniques were used. A computational docking method was used to deter-mine the binding modes of the synthesized inhibitors as well as to identify potentialinteractions between specified...
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Design and characterization of apatite La9.8Si5.7Mg0.3O26±δ-based micro-tubular solid oxide fuel cells
PublikacjaIn this study, electrolyte-supported (Cell A) and anode-supported (Cell B) micro-tubular solid oxide fuel cells (SOFCs) based on the La9.8Si5.7Mg0.3O26±δ (LSMO) electrolyte is built through an extrusion and dip-coating processes. The formulations and process conditions for these cells are established and optimized. Both cell configurations show no visible delamination or cracking, and reaction zones and inter-diffusion of any species...
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Exsolution of Ni nanoparticles on the surface of cerium and nickel co-doped lanthanum strontium titanate as a new anodic layer for DIR-SOFC. Anti-coking potential and H2S poisoning resistance of the prepared material
PublikacjaThe aim of this study was to evaluate a new catalytic material for biogas fueled DIR-SOFC. This material was a perovskite-type SrTiO3 doped with La, Ce and Ni of a general formula La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-σ (LSCNT). Additional preparation steps were undertaken to promote a nickel exsolution process. Heat post-treatment of powders in a humidified H2 resulted in an intensive growth of nickel nanoparticles (NPs) while the temperature...
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Intramolecular Proton Transfer in the Radical Anion of Cytidine Monophosphate Sheds Light on the Sensitivities of Dry vs Wet DNA to Electron Attachment-Induced Damage
PublikacjaSingle-strand breaks (SSBs) induced via electron attachment were previously observed in dry DNA under ultrahigh vacuum (UHV), while hydrated electrons were found not able to induce this DNA damage in an aqueous solution. To explain these findings, crossed electron-molecular beam (CEMB) and anion photoelectron spectroscopy (aPES) experiments coupled to density functional theory (DFT) modeling were used to demonstrate the fundamental...
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The impact of filler thermomechanical modifications on static and dynamic mechanical performance of flexible foamed polyurethane/ground tire rubber/zinc borate composites
PublikacjaThe rapid development of the automotive industry is very beneficial to many aspects of human life, but it is also a very significant environmental burden. The most straightforward impact is related to the generation of exhaust, but the management of post-consumer car parts is also a major challenge. Among them, waste tires are very burdensome due to their enormous numbers. Therefore, it is essential to develop novel, environmentally...
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Art and Healthcare - Healing Potential of Artistic Interventions in Medical Settings
PublikacjaThe stereotype of a machine for healing seems to be well rooted in common thinking and social perception of hospital buildings. The technological aspect of healthcare architecture has been influenced for several years by three major factors. The first is linked to the necessity of providing safety and security in the environment of elevated epidemiological risk. The second concerns the need for incorporating advanced technology...
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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublikacjaWe extend our recently developed quantum-mechanical/molecular mechanics (QM/MM) approach [Dziedzic et al., J. Chem. Phys. 145, 124106 (2016)] to enable in situ optimization of the localized orbitals. The quantum subsystem is described with ONETEP linear-scaling density functional theory and the classical subsystem – with the AMOEBA polarizable force field. The two subsystems interact via multipolar electrostatics and are fully...
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Architects and urban planners in the face of energy transition - smart cities energy aspects in shaping building structures and cities
PublikacjaContemporary architects and urban planners are facing steadily increasing challenges. The growing problems around environmental issues, shrinking natural resources and climate action are just some of them. Currently, planning should also include balancing with all the aspects of sustainable development such as not only the environmental issues, but also social and economic ones. How to meet them in the era of energy transition...
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PARP inhibition potentiates the cytotoxic activity of C-1305, a selective inhibitor of topoisomerase II, in human BRCA1-positive breast cancer cells
PublikacjaTwo cellular proteins encoded by the breast and ovarian cancer type 1 susceptibility (BRCA1 and BRCA2) tumor suppressor genes are essential for DNA integrity and the maintenance of genomic stability.Approximately 5-10% of breast and ovarian cancers result from inherited alterations or mutations in these genes.Remarkably, BRCA1/BRCA2-deficient cells are hypersensitive to selective inhibition of poly(ADPribose) polymerase 1 (PARP-1),...
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Characterization of single-stranded DNA-binding proteins from the psychrophilic bacteria Desulfotalea psychrophila, Flavobacterium psychrophilum, Psychrobacter arcticus, Psychrobacter cryohalolentis, Psychromonas ingrahamii, Psychroflexus torquis, and Photobacterium profundum
PublikacjaBackground: Single-stranded DNA-binding proteins (SSBs) play essential roles in DNA replication, recombination and repair in Bacteria, Archaea and Eukarya. In recent years, there has been an increasing interest in SSBs, since they find numerous applications in diverse molecular biology and analytical methods. Results: We report the characterization of single-stranded DNA-binding proteins from the psychrophilic bacteria Desulfotalea...
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Two-body dissociation of isoxazole following double photoionization – an experimental PEPIPICO and theoretical DFT and MP2 study
PublikacjaThe dissociative double photoionization of isoxazole molecules has been investigated experimentally and theoretically. The experiment has been carried out in the 27.5–36 eV photon energy range using vacuum ultraviolet (VUV) synchrotron radiation excitation combined with ion time-of-flight (TOF) spectrometry and photoelectron–photoion–photoion coincidence (PEPIPICO) technique. Five wellresolved two-body dissociation channels have...
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Enhancing chain-elongating microbiomes: Sequential fungi-bacteria cooperation for efficient food waste upgrading using endogenous electron donors
PublikacjaThe upgrading of organic waste such as food waste (FW) into medium-chain carboxylates (MCC) is within a bio-based circular economy concept. An efficient chain elongation (CE) microbiome is difficult to obtain, which normally requires long-term acclimatization and an exogenous supplement of electron donor (ED, especially ethanol). In this study, the CE microbiome was rapidly shaped within 18 days and an efficient endogenous ethanol-based...
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ENERGY AND EMISSION QUALITY RANKING OF NEWLY PRODUCED LOW-SULPHUR MARINE FUEL
PublikacjaThe article describes the methodology of engine tests on new types of low-sulphur marine fuels in laboratory conditions in order to conduct a comprehensive assessment of their suitability for powering full-size marine engines. The innovativeness of the proposed solution consists of adapting the laboratory Diesel Engine Test Bed to carry out experimental tests using residual and alternative fuels so that it is possible to imitate...
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Rapid Design Centering of Multi-Band Antennas Using Knowledge-Based Inverse Models and Response Features
PublikacjaAccounting for manufacturing tolerances as well as uncertainties concerning operating conditions and material parameters is one of the important yet often neglected aspects of antenna development. Appropriate quantification of uncertainties allows for estimating the fabrication yield but also to carry out robust design (e.g., yield maximization). For reliability reasons, statistical analysis should be executed at the accuracy level...
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Performance of electrochemical immunoassays for clinical diagnostics of SARS-CoV-2 based on selective nucleocapsid N protein detection: Boron-doped diamond, gold and glassy carbon evaluation
PublikacjaThe 21st century has already brought us a plethora of new threats related to viruses that emerge in humans after zoonotic transmission or drastically change their geographic distribution or prevalence. Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was first spotted at the end of 2019 to rapidly spread in southwest Asia and later cause a global pandemic, which paralyzes the world since then. We have designed novel...
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Preliminary safety assessment of Polish interchanges
PublikacjaInterchanges are a key and the most complex element of a road infrastructure. The safety and functionality of interchanges determine the traffic conditions and safety of the entire road network. This applies particularly to motorways and express-ways, for which they are the only way to access and exchange traffic. A big problem in Poland is the lack of comprehensive tools for designers at individual stages of the design process....
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Understanding the kinetics and atmospheric degradation mechanism of chlorotrifluoroethylene (CF2=CFCl) initiated by OH radicals
PublikacjaThe atmospheric degradation of chlorotrifluoroethylene (CTFE) by OH˙ was investigated using density functional theory (DFT). The potential energy surfaces were also defined in terms of single-point energies derived from the linked cluster CCSD(T) theory. With an energy barrier of −2.62 to −0.99 kcal mol−1 using the M06-2x method, the negative temperature dependence was determined. The OH˙ attack on Cα and Cβ atoms (labeled pathways...
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The Impact of Isocyanate Index and Filler Functionalities on the Performance of Flexible Foamed Polyurethane/Ground Tire Rubber Composites
PublikacjaThe structure and performance of polyurethane (PU) foams are strongly driven by the stoichiometry of the polyaddition reaction, quantitatively described by the isocyanate index. It determines the balance between isocyanate and hydroxyl groups in the reacting system and is affected by the introduction of additional functionalities originated, e.g., from applied fillers. Nevertheless, this issue is hardly taken into account in research...
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Analysis of IPv6 handovers in IEEE 802.16 environment
PublikacjaThe second generation of WiMAX solutions, based on IEEE 802.16-2005 standard, offers limited mobility support. Unfortunately, after quickly changing the point of attachment on the WiMAX data link layer (DLL), very slow and inefficient IPv6 reconfiguration takes place. Delays introduced by automatic configuration (DHCPv6 and IPv6 protocols) and Mobile IPv6 can easily diminish or even render useless all benefits gained using the...
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On Accelerated Metaheuristic-Based Electromagnetic-Driven Design Optimization of Antenna Structures Using Response Features
PublikacjaDevelopment of present-day antenna systems is an intricate and multi-step process requiring, among others, meticulous tuning of designable (mainly geometry) parameters. Concerning the latter, the most reliable approach is rigorous numerical optimization, which tends to be re-source-intensive in terms of computing due to involving full-wave electromagnetic (EM) simu-lations. The cost-related issues are particularly pronounced whenever...
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Exploring the technological dimension of Autonomous sensory meridian response-induced physiological responses
PublikacjaBackground In recent years, the scientific community has been captivated by the intriguing Autonomous sensory meridian response (ASMR), a unique phenomenon characterized by tingling sensations originating from the scalp and propagating down the spine. While anecdotal evidence suggests the therapeutic potential of ASMR, the field has witnessed a surge of scientific interest, particularly through the use of neuroimaging techniques...
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Application of the Msplitmethod for filtering airborne laser scanning data-sets to estimate digital terrain models
PublikacjaALS point cloud filtering involves the separation of observations representing the physical terrain surface from those representing terrain details. A digital terrain model (DTM) is created from a subset of points representing the ground surface. The accuracy of the generated DTM is influenced by several factors, including the survey method used, the accuracy of the source data, the applied DTM generation algorithm, and the survey...
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Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives
PublikacjaOther than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach its therapeutic site of action. Despite many recent excellent achievements in the field of computational methods supporting drug metabolism studies, a well-recognized procedure to model...
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Modern Management Challenges of Floating Housing Development
PublikacjaThe aim of the article is to identify factors that determine the development and management models of floating housing development in the analyzed countries. The author indicates factors determining the possibility of settling on bodies of water in Poland, and restrictions connected with this type of development, as well as the need for specialized persons and companies ready to meet the challenges of the modern management of hydro-technical...
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Estimation of groundwater recharge in a shallow sandy aquifer using unsaturated zone modeling and water table fluctuation method
PublikacjaQuantification of groundwater recharge is one of the most important issues in hydrogeology, especially in view of the ongoing changes in climate and land use. In this study, we use numerical models of 1D vertical flow in the vadose zone and the water table fluctuation (WTF) analysis to investigate local-scale recharge of a shallow sandy aquifer in the Brda outwash plain in northern Poland. We show that these two methods can be...
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Li nucleation on the graphite anode under potential control in Li-ion batteries
PublikacjaApplication of Li-ion batteries in electric vehicles requires improved safety, increased lifetime and high charging rates. One of the most commonly used intercalation anode material for Li-ion batteries, graphite, is vulnerable to Li nucleation, a side reaction which competes with the intercalation process and leads to loss of reversible capacity of the battery, ageing and short-circuits. In this study, we deploy a combined grand...
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Impact of Large-scale urban interventions on contemporary city centers. Gdansk case study. Wpływ przedsiewzięć urbanistycznych dużej skali na centra miast. Studium przypadku Gdańska
PublikacjaLarge scale urban interventions have become a common development practice in cotemporary cities, allowing achieving rapid changes in their urban structure. They can be analyzed taking into account various perspectives. Some of them include planning and development models, transformation of brownfields and other types of distressed urban areas, as well as consequences and results of their implementation in existing urban structures....
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Application of Msplit method for filtering airborne laser scanning data sets to estimate digital terrain models
PublikacjaALS point cloud filtering involves the separation of observations representing the physical terrain surface from those representing terrain details. A digital terrain model (DTM) is created from a subset of points representing the ground surface. The accuracy of the generated DTM is influenced by several factors, including the survey method used, the accuracy of the source data, the applied DTM generation algorithm, and the survey...
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A novel approach to enhance high optically active L-lactate production from food waste by landfill leachate
PublikacjaThe recycling of food waste (FW) through anaerobic fermentation into lactic acid (LA), with two isomers L-LA and D-LA, aligns with the principles of a bio-based circular economy. However, FW fermentation is often limited by competing pathways, acidification inhibition, and trace metals deficiency. This study investigates the introduction of landfill leachate, containing buffering agents (ammonia) and trace metals, into FW fermentation....
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Novel DNA-binding protein from Nanoarchaeum equitans Kin4-M binds all kinds of nucleic acids
PublikacjaNanoarchaeum equitans is the only known representative of Archaea phylum Nanoarchaeota and stands out as one of the tiniest known living organism. What is more it has smallest genome, which is only 490.885 base pairs long. It is also one of the most compact genomes. According to predictions about 95% of the DNA encodes proteins or stable RNA. Nanoarchaeum equitans lacks genes for most vital metabolic pathways including lipid, cofactor,...
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The II phase metabolism of endogenous and exogenous compounds, including antitumor chemotherapeutics
PublikacjaThe II phase metabolism, it is a set of metabolism and excretion pathways of endogenous as well as exogenous compounds including xenobiotics. UDP-glucuronyltransferases (UGTs; EC 2.4.1.17) are the most crucial representatives of II phase enzymes, which are responsible for the transformation of bilirubine and bile acids, steroids and thyroid hormones and lipids. Exogenous compounds, including drugs, carcinogens, environmental pollutants...
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Chemical investigation on the mechanism and kinetics of the atmospheric degradation reaction of Trichlorofluoroethene by OH⋅ and Its subsequent fate in the presence of O2/NOx
PublikacjaThe M06-2X/6-311++G(d,p) level of theory was used to examine the degradation of Trichlorofluoroethene (TCFE) initiated by OH⋅ radicals. Additionally, the coupled-cluster single-double with triple perturbative [CCSD(T)] method was employed to refine the single-point energies using the complete basis set extrapolation approach. The results indicated that OH-addition is the dominant pathway. OH⋅ adds to both the C1 and C2 carbons,...
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A machine learning approach to classifying New York Heart Association (NYHA) heart failure
PublikacjaAccording to the European Society of Cardiology, globally the number of patients with heart failure nearly doubled from 33.5 million in 1990 to 64.3 million in 2017, and is further projected to increase dramatically in this decade, still remaining a leading cause of morbidity and mortality. One of the most frequently applied heart failure classification systems that physicians use is the New York Heart Association (NYHA) Functional...
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Pilicides effectively hinder chaperone-usher interactions in all Gram-negative bacteria
PublikacjaThe chaperone-usher pathway of adhesive structures biogenesis is highly conserved in all Gram-negative bacteria. Pili are polymers of thousands protein subunits that possess conserved immunoglobuline-like structure denoted by lack of the seventh G strand. The effect of this structural defect is a hydrophobic acceptor cleft. The folding of protein subunits is strictly dependent on the action of specific periplasmic chaperone protein...
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Coarse-grained simulation - an efficient approach for studying motions of large proteins
PublikacjaOne of the most important challenges in performing Molecular Dynamics (MD) simulations of large protein complexes is to accommodate the model accuracy and the simulation timescale. Hitherto, for the most relevant dynamics of protein aggregates in an explicit aqueous environment, the timescale reachable for the all-atoms simulations is of hundreds of nanoseconds. This range is four to six orders of magnitude smaller than processes...
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Człowiek i jego samochód - relacje w strukturach mieszkaniowych w warunkach zrównoważonego rozwoju. Zapis refleksji
PublikacjaJakość środowiska zbudowanego - przekształcanego i tworzonego dla coraz liczniejszych pokoleń mieszkańców jest przedmiotem wieloletniej i narastającej dyskusji zawodowej środowiska architektonicznego.Ludzka potrzeba samorealizacji poprzez codzienną aktywność, działalność zawodową, przyjmowane role społeczne wpływa na kształtowanie indywidualnych modeli codzienności miejskiej, na decyzje o wyborach miejsca zamieszkania, miejsca...
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Molecularly targeted nanoparticles: an emerging tool for evaluation of expression of the receptor for advanced glycation end products in a murine model of peripheral artery disease
PublikacjaAbstract Background: Molecular imaging with molecularly targeted probes is a powerful tool for studying the spatio-temporal interactions between complex biological processes. The pivotal role of the receptor for advanced glycation end products (RAGE) in numerous pathological processes, aroused the demand for RAGE targeted imaging in various diseases. In the study, we evaluated the use of a diagnostic imaging agent for RAGE quantification...
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Analysis of IPv6 Handovers in IEEE 802.16 environment
PublikacjaZaprezentowano pełną analizę wpływu poszczególnych faz procesu przełączania w warstwie drugiej i trzeciej na przerwy w transmisji wynikające ze zmiany stacji bazowej BS przez przemieszczający się węzeł ruchomy MN. Zaproponowano i przebadano symulacyjnie 10 scenariuszy przełączania, w tym 8 różnych algorytmów stanowej autokonfiguracji węzłów MN, wspierających protokół IPv6 w środowiskach sieci WiMAX. W badaniach wskazano na możliwości...
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Dzielnica Reprezentacyjna Gdyni i jej powojenne oraz współczesne interpretacje
PublikacjaThe concept of the Premiere District in Gdynia was first conceived in the 1920s and from that time on it constantly accompanied the history of the city. It derivated from the idea of creating a symbol of Poland's regaining independence after the first World War and the successful creation of the new port and city on the Baltic coast. As the result of that development, Gdynia was named the maritime capital of Poland and was treated...
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Zintegrowane sterowanie systemami zaopatrzenia w wodę pitną
PublikacjaOptymalne ekonomicznie zaspokojenie w miastach bieżącego zapotrzebowania na wodę pitną tak, aby spełnione były wymagania jakości dostaw oraz jakości samej wody jest złożonym zadaniem. Zarówno aspekty aplikacyjne jak i teoretyczne tego problemu są przedmiotem intensywnych prac prowadzanych w sektorach naukowych i przemysłowych na całym świecie. Prace te finansowane są przez przemysł, komitety naukowe oraz Programy Ramowe Unii Europejskiej....