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Large-Scale and Low-Cost Motivation of Nitrogen-Doped Commercial Activated Carbon for High-Energy-Density Supercapacitor
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublicationIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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The effect of the annual growth and the late wood share upon density of the Polish pine wood as a function of its origin
PublicationW artykule przedstawiono zróżnicowanie gęstości polskiego drewna sosnowego (Pinus sylvestris L.) w zależności od udziału drewna późnego w przyroście rocznym z uwzględnieniem krainy pochodzenia drewna. Wspomniane zróżnicowanie jest w istotne statystycznie w skali globalnej oraz dla większości miejsc pochodzenia. Pomiar gęstości wykonano przy użyciu metody stereometrycznej. Metoda ta polegała na określeniu objętości pryzmy poprzez...
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A dual-control strategy based on electrode material and electrolyte optimization to construct an asymmetric supercapacitor with high energy density
PublicationMetal-organic frames (MOFs) are regarded as excellent candidates for supercapacitors that have attracted much attention because of their diversity, adjustability and porosity. However, both poor structural stability in aqueous alkaline electrolytes and the low electrical conductivity of MOF materials constrain their practical implementation in supercapacitors. In this study, bimetallic CoNi-MOF were synthesized to enhance the electrical...
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Stable nanoconjugates of transferrin with alloyed quaternary nanocrystals Ag–In–Zn–S as a biological entity for tumor recognition
PublicationOne way to limit the negative effects of anti-tumor drugs on healthy cells is targeted therapy employing functionalized drug carriers. Here we present a biocompatible and stable nanoconjugate of transferrin anchored to Ag-In-Zn-S quantum dots modified with 11-mercaptoundecanoic acid (Tf-QD) as a drug carrier versus typical anticancer drug, doxorubicin. Detailed investigations of Tf-QD nanoconjugates without and with doxorubicin...
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IR–Raman, NMR and density functional methods in the examination of tautomerism and features of N-methyl substituted 9-acridinamine derivatives
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Endometrial nitric oxide production and nitric oxide synthases in the equine endometrium: Relationship with microvascular density during the estrus cycle
PublicationNitric oxide (NO) plays an important role in angiogenesis and in the regulation of the blood flow. This study was carried out to investigate (i) the effects of endogenous estrogens and progestins and exogenous progesterone (P(4)) (5 ng/ml or 1 microg/ml) or estradiol 17beta (E(2)beta) (50 pg/ml or 1 microg/ml) on in vitro endometrial NO synthesis; (ii) the presence of different isoforms of NO synthase;...
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Single-dopant organic white electrophosphorescent diodes with very high efficiency and its reduced current density roll-off
PublicationW pracy opisano konstrukcję wysokowydajnej diody elektrofosforescencyjnej zawierającej domieszkę organicznego kompleksu platyny PtL2Cl (L oznacza organiczny ligand). Dioda emituje światło białe które pochodzi od ekscymerów świecących w czerwieni i wzbudzonych monomerów świecących w części niebieskiej widma. Kwantowa wydajność świecenia diody wynosi ok. 15% i słabo maleje ze wzrostem gęstości płynącego prądu elektrycznego.
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Catalytic conversion of linear low density polyethylene into carbon nanomaterials under the combined catalysis of Ni2O3 and poly(vinyl chloride)
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The Effect of Surface Topography Feature Size Density and Distribution on the Results of a Data Processing and Parameters Calculation with a Comparison of Regular Methods
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Strain energy density and entire fracture surface parameters relationship for LCF life prediction of additively manufactured 18Ni300 steel
PublicationIn this study, the connection between total strain energy density and fracture surface topography is investigated in additively manufactured maraging steel exposed to low-cycle fatigue loading. The specimens were fabricated using laser beam powder bed fusion (LB-PBF) and examined under fully-reversed strain-controlled setup at strain amplitudes scale from 0.3% to 1.0%. The post-mortem fracture surfaces were explored using a non-contact...
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Investigation of the Effect of The Temperature and Magnetization Pattern on Flux Density, Instantaneous Torque, Unbalanced Magnetic Forces of a Surface Inset PMM
PublicationElectrical machines utilized in domestic applications such as ceiling fans should have low losses and cost. Permanent magnets are used instead of rotor excitation to reduce losses. Therefore, not only the losses of the rotor winding are eliminated, but also the efficiency of the machine is increased. A surface inset consequent pole (SICP) machine has also been used to reduce costs. Because less magnets are utilized in this structure....
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Cascading transitions toward unconventional charge density wave states in the quasi-two-dimensional monophosphate tungsten bronze P4W16O56
PublicationSingle crystals of the m = 8 member of the low-dimensional monophosphate tungsten bronzes (PO2)4(WO3)2m family were grown by chemical vapour transport technique and the high crystalline quality obtained allowed a reinvestigation of the physical and structural properties. Resistivity measurements revealed three anomalies at TC1 = 258 K, TC2 = 245 K and TC3 = 140 K, never observed until now. Parallel X-ray diffraction investigations...
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The role of Herzberg-Teller effects on the resonance Raman spectrum of trans-porphycene investigated by time dependent density functional theory.
PublicationThe S1 excited state properties as well as the associated absorption and resonance Raman (RR) spectra of trans-porphycene are investigated by means of time dependent density functional theory calculations. The relative magnitude of the Franck-Condon (FC) contribution and of the Herzberg-Teller (HT) effects is evaluated for both the absorption and RR intensities. The accuracy of the calculated spectra is assessed by employing different...
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European Multicenter Evaluation of High-Density DNA Probe Arrays for Detection of Hepatitis B Virus Resistance Mutations and Identification of Genotypes
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The associations between serum VEGF, bFGF and endoglin levels with microvessel density and expression of proangiogenic factors in malignant and benign ovarian tumors
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Radiation dose distributions in three dimensions from tomographic optical density scanning of polymer gels: I. Development of an optical scanner
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Fabrication of high-density nitrogen-vacancy (NV) center-enriched diamond particles through methyl trityl amine (C20H19N) seeding
PublicationDiamond particles (DPs) show promise for advanced applications in bioimaging and quantum sensing due to the presence of defect centers. This work reports a unique growth process for diamond particles composed of nitrogen-vacancy centers (NV-DPs) using a methyl trityl amine (C20H19N) diamondoid seed, which acts as a nitrogen source for NV creation. Growth was performed via microwave plasma-assisted chemical vapor deposition in a...
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The influence of the grid density of measurement points on damage detection in an isotropic plate by the use of elastic waves and laser scanning Doppler vibrometry
PublicationDamage detection in structural components, especially in mechanical engineering, is an 2 important element of engineering practice. There are many methods of damage detection, in which 3 changes in various parameters caused by the presence of damage are analysed. Recently, methods 4 based on the analysis of changes in dynamic parameters of structures, i.e. frequencies or mode shapes 5 of natural vibrations, as well as changes in...
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Cell Density-Dependent Cytological Stage Profile and Its Application for a Screen of Cytostatic Agents Active Toward Leukemic Stem Cells
PublicationProliferation and expansion of leukemia is driven by leukemic stem cells (LSCs). Multidrug resistance (MDR) of LSCs is one of the main reasons of failure and relapses in acute myeloid leukemia (AML) treatment. In this study, we show that maintaining HL-60 at low cell culture density or applying a 240-day treatment with anthrapyridazone (BS-121) increased the percentage of primitive cells, which include LSCs determining the overall...
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Electron Density from Balmer Series Hydrogen Lines and Ionization Temperatures in Inductively Coupled Argon Plasma Supplied by Aerosol and Volatile Species
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Combined Spectroscopic Methods of Determination of Density of Electronic States: Comparative Analysis of Diffuse Reflectance Spectroelectrochemistry and Reversed Double-Beam Photoacoustic Spectroscopy
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Interactions of N-alkyl-N-methylmorpholinium based ionic liquids with acetonitrile studied by density and velocity of sound measurements and molecular dynamics simulations
PublicationMorpholinium-based ionic liquids (ILs) and their mixtures with polar co-solvents are an interesting class of emerging electrolytes in electrochemistry that is relatively poorly studied. In this work, densities and sound velocities of four ILs, N-ethyl-N-methylmorpholinium tetrafluoroborate, N-butyl-N-methylmorpholinium tetrafluoroborate, N-octyl-N-methylmorpho-linium tetrafluoroborate and N-decyl-N-methylmorpholinium tetrafluoroborate...
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Measurements of Dispersed Phase Velocity in Two-Phase Flows in Pipelines Using Gamma-Absorption Technique and Phase of the Cross-Spectral Density Function
PublicationThis paper concerns the application of the gamma radiation absorption method in the measurements of dispersed phase velocity in two-phase flows: liquid–gas flow in a horizontal pipe- line and liquid–solid particles in a vertical pipe. Radiometric sets containing two linear 241Am gamma radiation sources and two NaI(Tl) scintillation detectors were used in the research. Due to the stochastic nature of the signals obtained from the...
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Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation
PublicationHydrogen production from methanol decomposition to syngas (H2 + CO) is a promising alternative route for clean energy transition. One major challenge is related to the quest for stable, cost-effective, and selective catalysts operating below 400 °C. We illustrate an investigation of the surface reactivity of a Ni3Sn4 catalyst working at 250 °C, by combining density functional theory, operando X-ray absorption spectroscopy, and high-resolution...
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Evaluation by means of magneto-acoustic emission and Barkhausen effect of time and space distribution of magnetic flux density in ferromagnetic plate magnetized by a C-core
PublicationPokazano wyniki badań emisji magnetoakustycznej (EMA) i efektu Barkhausena (HEB) dla dwóch płyt stalowych o różnych wymiarach. Wyniki te są porównane z wynikami modelowania zjawiska EMA z wykorzystaniem metody elementów skończonych z uwzględniem efektu prądów wirowych. Uzyskano zadawalające dopasowanie modelu, który odtwarzał poszerzenie maksimum EMA oraz przesunięcie fazowe i zmianę amplitudy HEB.
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Anion–π recognition between [M(CN)6]3− complexes and HAT(CN)6: structural matching and electronic charge density modification
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Electrical signatures of Nimbostratus and Stratus clouds in ground-level vertical atmospheric electric field and current density at mid-latitude station Swider, Poland
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Dermal microvessel density and maturity is closely associated with atherogenic dyslipidemia and accumulation of advanced glycation end products in adult patients with type 1 diabetes
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Radiation dose distributions in three dimensions from tomographic optical density scanning of polymer gels: II. Optical properties of the BANG polymer gel
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Fine-Tuning the Photocatalytic Activity of the Anatase {1 0 1} Facet through Dopant-Controlled Reduction of the Spontaneously Present Donor State Density
PublicationThe present study highlights the importance of the net density of charge carriers at the ground state on photocatalytic activity of the faceted particles, which can be seen as a highly underexplored problem. To investigate it in detail, we have systematically doped {1 0 1} enclosed anatase nanoparticles with Gd3+ ions to manipulate the charge carrier concentration. Furthermore, control experiments using an analogical Nb5+ doped...
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Spectroscopic and cytotoxic characteristics of (p-cymene)Ru(II) complexes with bidentate coumarins and density functional theory comparison with selected Pd(II) complexes
PublicationThis paper presents the synthesis of two new (p-cymene)-ruthenium(II) complexes with the bidentate coumarin ligands. Both complexes were characterized by FTIR spectroscopy, 1H NMR, 13C NMR, MS, elemental analysis and DFT calculations. The X-ray structure of complex 3a was also solved. The cytotoxic properties of both complexes were examined on human leukemia NALM-6 and HL-60 cells and melanoma WM-115 cells. The complexes possess...
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A la recherche d’une coherence perdue – Possible Arguments for the Non-application of EU Law in Member States
PublicationThe European Union (EU) is an international organization which has a broad scope of competences that have been transferred to it by its Member States in the founding Treaties. The object of the article is to identify arguments raised, or that potentially might be raised, by national Constitutional Courts (and in the future possibly by other actors as well) to exclude in certain instances the application of EU law or EU jurisprudence...
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Analysis of factors influencing the density of fatalities on national roads in poland = Analiza czynników wpływających na gęstość ofiar śmiertelnych na drogach krajowych w Polsce
PublicationW referacie przedstawiono doświadczenia innych krajów i wstępne wyniki badań wpływu wybranych czynników na gęstość i liczbę ofiar śmiertelnych wypadków drogowych na drogach krajowych w Polsce.
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Density, sound velocity, viscosity, and refractive index of new morpholinium ionic liquids with amino acid-based anions: Effect of temperature, alkyl chain length, and anion
PublicationIn this work, room temperature synthesis of twenty new ionic liquids (ILs) based on the N-alkyl-N-methylmorpholinium ([Mor1,R], R = 2, 3, 4, 6, 8) cation and N-acetyl-L-amino acid anions (L-alaninate, L-valinate, L-leucinate, L-isoleucinate) was described. The synthesized ILs were characterized by various spectroscopic techniques and high-resolution mass spectrometry. Furthermore, density (ρ), sound velocity (v), viscosity (η)...
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Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
PublicationThe knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...
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The Brain of the city
PublicationIn order to highlight the characteristics of the West End of Wrocław, we conducted a site analysis. Using the strengths of the site, we were able to create a unique concept of the district while minimizing the impacts of weaknesses by design. The purpose of redesigning the West End of Wrocław is to attract new people to the district through the transformation of an identity. Initially, we conducted a SWOT analysis to identify the...
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Rewitalizacja dróg wodnych delty Wisły jako podstawa nowej perspektywy osiedleńczej
PublicationW artykule opisano badania dotyczące rewitalizacji dróg wodnych Delty Wisły. Problematyka badawcza dotyczy rozwoju obszaru na styku lądu i wody. Wpływ lokalizacji nadmorskiej, i związana z nią problematyka wynikająca z położenia poniżej poziomu morza są dostrzegalne nawet do stu kilometrów od wybrzeża. Dodatkowym aspektem, który ujemnie wpływa na rozwój obszaru delty po II wojnie światowej jest utrata tożsamości regionalnej. Dlatego...
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Comparison of Traffic Flow Models with Real Traffic Data Based on a Quantitative Assessment
PublicationThe fundamental relationship of traffic flow and bivariate relations between speed and flow, speed and density, and flow and density are of great importance in transportation engineering. Fundamental relationship models may be applied to assess and forecast traffic conditions at uninterrupted traffic flow facilities. The objective of the article was to analyze and compare existing models of the fundamental relationship. To that...
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Exploring the interfacial effects at the ETL/perovskite boundary in the semitransparent perovskite solar cells
PublicationThe recent focus has been made on the perovskite solar cells (PSCs) with an inverted configuration, where substantial improvements have been already achieved. However, the p–i–n structure needs a buffer layer for most of the configurations to modify the work-function of a deposited electrode. Additionally and very importantly, such a layer can also serve as a protective film that improves a stability of solar cells. Here, we study...
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Architektoniczne tożsamości miasta portowego - na przykładach Gdańska i Gdyni oraz Hamburga i Altony
PublicationHarbour cities of Northern Europe, especially those growing in the circle of influence of Hanseatic League, were formed in a way, which allows to identify them as the cities of a specific identity considering architecture and urban planning. Industrial revolution of 19-th and early 20-th century brought the radical change in the field of spatial development of the cities. Economical, political, cultural influences, also social...
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Challenges of branding and marketing of clusters
PublicationClusters have proved to be powerful engine s of economic development in the European Union. Clusters and their stakehol ders can derive many benefits fr om a strong cluster brand. However, they face numerous branding and marketing challenges. Specifics of clusters, such as multiple stakeholders, make it difficult to forge a strong brand identity. This paper addresses the need to develop a cluster specific approach to branding and...
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Zarządzanie tożsamością w organizacjach na różnych poziomach zagregowania
PublicationNiniejszy artykuł stanowi naukową refleksję nad pojęciem tożsamości grupowej, odnoszonej do przedsiębiorstw oraz ich agregatów, określanych przez autorkę mianem „organizacji na wyższych poziomach zagregowania”. Głównym celem artykułu jest przegląd literatury z zakresu tożsamości przedsiębiorstwa, a na tej podstawie próba ustalenia czym jest taka tożsamość i co się na nią składa. Na wstępie autorka przedstawia definicje tożsamości...
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Nonlinear Interaction of Modes in a Planar Flow of a Gas with Viscous and Thermal Attenuation
PublicationThe nonlinear interaction of wave and non-wave modes in a gas planar flow are considered. Attention is mainly paid to the case when one sound mode is dominant and excites the counter-propagating sound mode and the entropy mode. The modes are determined by links between perturbations of pressure, density, and fluid velocity. This definition follows from the linear conservation equations in the differential form and thermodynamic...
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Optimum Choice of Randomly Oriented Carbon Nanotube Networks for UV-Assisted Gas Sensing Applications
PublicationWe investigated the noise and photoresponse characteristics of various optical transparencies of nanotube networks to identify an optimal randomly oriented network of carbon nanotube (CNT)-based devices for UV-assisted gas sensing applications. Our investigation reveals that all of the studied devices demonstrate negative photoconductivity upon exposure to UV light. Our studies confirm the effect of UV irradiation on the electrical...
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Tożsamość i przestrzeń. Wokół gdańskich retoryk tożsamościowych
PublicationW długim procesie kształtowania tożsamości Gdańska ważną rolę odgrywają pamięć i przestrzeń. W nowym dyskursie tożsamościowym nie tracą one na znaczeniu, lecz obok stałych fundamentów narracji tożsamościowej (wielokulturowość, architektura, pamięć), pojawiają się nowe opowieści miejskie obejmujące różne wymiary refleksji wskazujące na złożoność: wielowymiarowość i wielowarstwowość gdańskich tożsamości. W pamięci zbiorowej gdańszczan...
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Adaptive identification of sparse underwater acoustic channels with a mix of static and time-varying parameters
PublicationWe consider identification of sparse linear systems with a mix of static and time-varying parameters. Such systems are typical in underwater acoustics (UWA), for instance, in applications requiring identi- fication of the acoustic channel, such as UWA communications, navigation and continuous-wave sonar. The recently proposed fast local basis function (fLBF) algorithm provides high performance when identi- fying time-varying systems....
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Performance of a single layer fuel cell based on a mixed proton-electron conducting composite
PublicationMany of the challenges in solid oxide fuel cell technology stem from chemical and mechanical incompatibilities between the anode, cathode and electrolyte materials. Numerous attempts have been made to identify compatible materials. Here, these challenges are circumvented by the introduction of a working single layer fuel cell, fabricated from a composite of proton conducting BaCe0.6Zr0.2Y0.2O3-δ and a mixture of semiconducting...
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Transformacja tożsamości miejsca jako efekt interwencji artystycznych w przestrzeni publicznej
PublicationThe subject of a paper is connected with art in public space as an element of shaping identity of a place. This issue is related to finding out new and effective urban regeneration’s tools, rebuilding the identity of degraded areas by art. In the article, the idea of an American “creative placemaking” is presented and compared with polish urban regeneration case study. The specific issues discussed in the article are: the role...