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Search results for: Li2+ molecule
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The Factors Affecting Group Identity of Cluster Structures
PublicationThe paper provides a new approach to cluster analysis, basing on a sociologically rooted concept of identity. The authors state that identity in cluster structures is formed by two main groups of factors – uncontrollable or slightly controllable factors (identity mix) and factors that can be fully controlled by a cluster initiative (corporate identity mix). It means that the cluster coordinator is able to consciously build the...
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Collision-induced luminescence spectra of pyridine bombarded by 1000 eV He+ cations
PublicationHere we show collision-induced luminescence spectra measured for collisions of the He+cations with thearomatic six-membered ring of the pyridine molecule (C5H5N). Distinct emission bands due to the CH(A2Δ→X2Πr;B2Σ+→X2Πr;C2Σ+→X2Πr), CN(B2Σ+→X2Σ+), C2(d3Πg→a3Πu), and NH(A3Π→X3Σ−) transitions, aswell as atomic H, He, and C lines have been observed. Apart from the He atoms, all the emitters arise from thefragmentation of the pyridine...
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Muramyl dipeptide-based analogs as potential anticancer compounds: Strategies to improve selectivity, biocompatibility, and efficiency
PublicationAccording to the WHO, cancer is the second leading cause of death in the world. This is an important global problem and a major challenge for researchers who have been trying to find an effective anticancer therapy. A large number of newly discovered compounds do not exert selective cytotoxic activity against tumorigenic cells and have too many side effects. Therefore, research on muramyl dipeptide (MDP) analogs has attracted interest...
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Structured deformation of granular material in the state of active earth pressure
PublicationThe paper focuses on the ability of granular materials to undergo structured deformation by analysing the data from the retaining wall model tests and discrete element simulations. The structured deformation means the movement of a granular material which produces a stable, regular pattern of multiple shear bands. The paper's primary purpose is to study this kind of deformation for the selected data representing the state of active...
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Synthesis and Spectroscopic Characterization of Selected Phenothiazines and Phenazines Rationalized Based on DFT Calculation
PublicationTwo unique structures were isolated from the phosphorylation reaction of 10H-phenothiazine.The 5,5-dimethyl-2-(10H-phenothiazin-10-yl)-1,3,2-dioxaphosphinane 2-oxide (2a) illustrates theproduct of N-phosphorylation of phenothiazine. Moreover, a potential product of 2a instability,a thiophosphoric acid 2b, was successfully isolated and structurally characterized. Molecule 2a,similarly to sulfoxide derivative...
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Carboxylic acids as efficient corrosion inhibitors of aluminium alloys in alkaline media
PublicationThe efficiency of AA5754 aluminium alloy corrosion inhibition achieved with maleic, malic, succinic, tartaric, citric, tricarballylic acids and serine in alkaline environment (pH 11) was examined. Selected corrosion inhibitors are characterized by different numbers and distribution of carbonyl and hydroxyl groups within their molecules. We have proposed and verified a novel approach for determining the adsorption isotherms based...
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Electron collisions with methyl-substituted ethylenes: Cross section measurements and calculations for 2-methyl–2-butene and 2,3-dimethyl–2-butene
PublicationWe report electron-scattering cross sections determined for 2-methyl–2-butene [(H3C)HC==C(CH3)2] and 2,3-dimethyl–2-butene [(H3C)2C=C(CH3)2] molecules. Absolute grand-total cross sections (TCSs) were measured for incident electron energies in the 0.5–300 eV range, using a linear electron-transmission technique. The experimental TCS energy dependences for the both targets appear to be very similar with respect to the shape. In each...
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Morphochemical investigation on the enrichment and transformation of hazardous elements in ash from waste incineration plants
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Fabrication of FeTCPP@CNNS for Efficient Photocatalytic Performance of p-Nitrophenol under Visible Light
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Recent Progress in Polymer Waste-Derived Porous Carbon for Supercapacitors
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Structural phase transitions and photoluminescence properties of oxonitridosilicate phosphors under high hydrostatic pressure
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A Monte Carlo Strategy to simulate Positrons and Positronium in biological Materials
PublicationWe present an algorithm for Monte Carlo simulations of positron tracks in biological materials. The algorithm takes into account the cross-section data for elastic and inelastic collisions between positrons and molecules and processes like direct annihilation, ionization and positronium formation. In the case of positronium formation, the algorithm considers the interactions of positronium with molecules. The algorithm can be used...
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Direct amination of boron-doped diamond by plasma polymerized allylamine film
PublicationA novel microwave pulsed-plasma based method for the modification of the hydrogen-terminated polycrystalline boron-doped diamond (BDD) with a thin film of polymerized allylamine (PPAAm) is reported. A modified BDD surface is resistant to hydrolysis and delamination and is characterized by a high density of positively charged amino groups. Pulsed microwave plasma was applied to improve the degree of cross-linking and bonding of...
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Electron interactions with Bis(pentamethylcyclopentadienyl) titanium(IV) dichloride and difluoride
PublicationWe present a combined experimental and theoretical study of the interaction of electrons with Bis(pentamethylcyclopentadienyl)titanium(IV) dichloride (Cp∗2TiCl2) and difluoride (Cp∗2TiF2). We report the experimental measurements of partial cross sections for the dissociative electron attachment (DEA) and the electron ionization (EI) mass spectra of isolated molecules. Estimates of the absolute cross sections are done on the basis...
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Organic solvents aggregating and shaping structural folding of protein, a case study of the protease enzyme
PublicationLow solubility of reactants or products in aqueous solutions can result in the enzymatic catalytic reactions that can occur in non-aqueous solutions. In current study we investigated aqueous solutions containing different organic solvents / deep eutectic solvents (DESs) that can influence the protease enzyme's activity, structural, and thermal stabilities. Retroviral aspartic protease enzyme is responsible for the cleavage of the...
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Cobalt(II) and Cobalt(III) Tri‐tert‐butoxysilanethiolates. Synthesis, Properties, Crystal and Molecular Structures of [Co{μ‐SSi(OBut)3}{SSi(OBut)3}(NH3)]2 and [Co{SSi(OBut)3}2(NH3)4][SSi(OBut)3] Complexes
PublicationThe heteroleptic neutral tri‐tert‐butoxysilanethiolate of cobalt(II) incorporating ammonia as additional ligand (1) has been prepared by the reaction of a cobalt(II) ammine complex with tri‐tert‐butoxysilanethiol in water. Complex 1, dissolved in hexane, undergoes oxidation in an ammonia saturated atmosphere to the ionic cobalt(III) compound 2. Molecular and...
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Induction of chirality in 4,4'-azopyridine by halogen-bonding interaction with optically active ditopic donors
PublicationOptically active ditopic halogen bond donors bearing two 4-iodotetrafluorophenyl groups were obtained by reaction of chiral diols with iodopentafluorobenzene. Co-crystallization of these donors with anti-4,4′-azopyridine afforded binary complexes containing infinite chains of the alternating component molecules connected by halogen bonds. The solid state CD measurements confirmed that complexation induces optical activity of the...
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Conformation analysis and semiclassical dynamics study of charge exchange process induced by collision of C2+ ions with tetrahydrofuran
PublicationWe present the results of recent investigations of charge transfer processes in the collisions of C²⁺ ions with heterocyclic molecules of tetrahydrofuran.
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Investigation of rotational state-changing collisions of C2N− ions with helium
PublicationThe cross sections for rotational inelastic collisions between atoms and a molecular anion can be very large, if the anion has a dipole moment. This makes molecular anions very efficient in cooling atomic gases. We address rotational inelastic collisions of Helium atoms with the molecular anion C2N–. Here we present preliminary calculations of the potential energy surface.
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The crystal structure of (1RS,4RS,5RS,6SR)-5-cyano-5-nitro-6-phenyl-bicyclo[2.2.1]hept-2-ene
PublicationStructure of nitronorbornene derivative C14H12N2O2 synthesized in the reaction of cyclopentadiene with E-2-phenyl-1-cyano-1-nitroethene was determined by single crystal X-ray diffraction analysis. It was found that in analyzed molecule the nitro group is in endo-position whereas phenyl group have exo-ori-entation.
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Effect of osmolytes of different type on DNA behavior in aqueous solution. Experimental and theoretical studies
PublicationOsmolytes, the small organic molecules accumulated in cells under environmental stress, can modulate the stability of biopolymers such as proteins and DNA. In spite of many years of research, there is no established molecular mechanism of the influence of osmolytes on DNA structure. Here, we used two model osmolytes that denature (urea) or stabilize (trimethylglycine, TMG) proteins to study their effect on DNA in aqueous solutions...
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Hyaluronan-Chondroitin Sulfate Anomalous Crosslinking Due to Temperature Changes
PublicationGlycosaminoglycans are a wide class of biopolymers showing great lubricating properties due to their structure and high affinity to water. Two of them, hyaluronic acid and chondroitin sulfate, play an important role in articular cartilage lubrication. In this work, we present results of the all-atom molecular dynamics simulations of both molecules placed in water-based solution. To mimic changes of the physiological conditions,...
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Interaction of 4-nitrothiophenol with low energy electrons: Implications for plasmon mediated reactions
PublicationThe reduction of 4-nitrothiophenol (NTP) to 4-4′-dimercaptoazobenzene (DMAB) on laser illuminated noble metal nanoparticles is one of the most widely studied plasmon mediated reactions. The reaction is most likely triggered by a transfer of low energy electrons from the nanoparticle to the adsorbed molecules. Besides the formation of DMAB, dissociative side reactions of NTP have also been observed. Here, we present a crossed electron-molecular...
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Cooperativity of Halogen- and Chalcogen-Bonding Interactions in the Self-Assembly of 4‑Iodoethynyl- and 4,7-Bis(iodoethynyl)benzo-2,1,3-chalcogenadiazoles: Crystal Structures, Hirshfeld Surface Analyses, and Crystal Lattice Energy Calculations
PublicationSeveral new 4-iodoethynyl- and 4,7-bis- (iodoethynyl)benzo-2,1,3-chalcogenadiazoles were prepared, and a comprehensive analysis of the most prominent secondary bonding interactions responsible for the crystal self-assembly was performed using X-ray diffraction. The presence of both the iodoethynyl and chalcogenadiazole moieties allows an evaluation of the preference of these molecules to aggregate through either chalcogen- or halogen-bonding...
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The importance of anchoring ligands of binuclear sensitizers on electron transfer processes and photovoltaic action in dye-sensitized solar cells
PublicationThe relatively low photon-to-current conversion efficiency of dye-sensitized solar cells is their major drawback limiting widespread application. Light harvesting, followed by a series of electron transfer processes, is the critical step in photocurrent generation. An in-depth understanding and fine optimization of those processes are crucial to enhance cell performance. In this work, we synthesize two new bi-ruthenium sensitizers...
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Effect of ectoine on hydration spheres of peptides–spectroscopic studies
PublicationIn this paper, we use FTIR spectroscopy to characterize the hydration water of ectoine, its interactions with two peptides–diglycine and NAGMA, and the properties of water molecules in the hydration spheres of both peptides changed by the presence of the osmolyte. We found that the interaction of ectoine with the peptide hydration shells had no effect on its own hydration sphere. However, the enhanced hydration layer of the osmolyte...
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Cross section calculations for electron scattering from platinum chemotherapeutic compounds
PublicationCross section for electron impact ionization of carboplatin, C6H12N2O4Pt, and oxaliplatin, C8H14N2O4Pt, have been calculated within binary-encounter-Bethe model for energies from the ionization threshold up to 5000 eV. Cross section for elastic electron scattering from carboplatin and oxaliplatin molecules have also been derived using independent atom method (IAM) and additivity rule for collision energies ranging from 50 eV to...
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Novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(1,3,5-triazin-2-ylamino)guanidine derivatives: Inhibition of human carbonic anhydrase cytosolic isozymes I and II and the transmembrane tumor-associated isozymes IX and XII, anticancer activity, and molecular modeling studies
PublicationA series of novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(6-substituted-4-chloro-1,3,5-triazin-2-ylamino)guanidine derivatives 9–20 have been synthesized by substitution of chlorine atom at the 1,3,5-triazine ring in compounds 5–8 with 3- or 4-aminobenzenesulfonamide and 4-(aminomethyl)benzenesulfonamide hydrochloride. All the synthesized compounds were evaluated for their inhibitory activity toward hCA I, II,...
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An examination of an Antarctic soil metagenomic-derivate putative methylthioadenosine phosphorylase gene as a novel reporter gene for promoter trapping
PublicationThe rsfp gene was discovered during examination ofan Antarctic soil-derived metagenome library and encodesa bacterial methylthioadenosine phosphorylase (GenBank accession number GQ202582). In a previous study, we found that E. coli colonies expressing the rsfp gene reveal strong pink fluorescence after exposure to UV light when grown on culture medium supplemented with rhodamine B (Cieśliński et al., 2009). In contrast to that,...
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Visualizing the macroscale spatial distributions of biofilms in complex flow channels using industrial computed tomography
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Superconductivity in three-layer Na0.3CoO2*1.3H2O
PublicationOdkryto nadprzewodnictwo w trójwarstwowym związku uwodnionego sodowo -kobaltowego tlenku Na0.3CoO2 * 1.3H2O. Opisany został sposób syntezy, badania strukturalne (XRD i TGA) a także badania podatności magnetycznej.
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Development of a Response Assessment Tool for a Floating Dock System
PublicationDocking operations of ships require a response assessment to ensure structural and personnel safety. Environmental loads and improper ballast adjustments are the main threats to the docking operations. They can cause severe structural damages and stability loss to a floating dock system which includes a floating dock and a docked vessel, even if the velocities of the dock and the vessel are very low during the docking process....
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Anaerobic consortia mediate Mn(IV)-dependent anaerobic oxidation of methane
PublicationManganese-dependent anaerobic oxidation of methane (Mn-AOM) is a major methane sink and vital to mitigating global warming. However, it is difficult for microorganisms to mediate electron transfer between the hardly dissolved CH4 and insoluble Mn(IV) minerals, leading to poor understanding of species mediating Mn-AOM. This study successfully enriched an anaerobic consortium mediating AOM driven by Mn-dependent respiratory growth,...
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Tuning the Laser-Induced Processing of 3D Porous Graphenic Nanostructures by Boron-Doped Diamond Particles for Flexible Microsupercapacitors
PublicationCarbon (sp3)-on-carbon (sp2) materials have the potential to revolutionize fields such as energy storage and microelectronics. However, the rational engineering and printing of carbon-on-carbon materials on flexible substrates remains a challenge in wearable electronics technology. This study demon-strates the scalable fabrication of flexible laser-induced graphene (LIG)-boron doped diamond nanowall (BDNW) hybrid nanostructures...
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An application for a new type of pneumatic engine concept
PublicationHeavy trucks are often equipped with loading and unloading systems like dock levellers with swing lip or telescopic lip. Most of these devices require hydro-electrical energy supply systems (eg. the pump that presses the working substance to the actuators must be propelled by electric engine.) The space taken by pump with electric engine can be reduced on condition that a new type of pneumatic drive will be considered. It is possible...
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The carbohydrate glycosylphosphatidylinositol anchor chain under mechanical stress
PublicationCarbohydrates have quite complicated micro heterogenic structure which may undergo different structural transitions. Due to their extreme flexibility it is very difficult to investigate such structural changes experimentally. In these studies we want to predict what structural and conformational changes are possible in the carbohydrate
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Simplified AutoDock force field for hydrated binding sites
Publicationhas been extracted from the Protein Data Bank and used to test and recalibrate AutoDock force field. Since for some binding sites water molecules are crucial for bridging the receptor-ligand interactions, they have to be included in the analysis. To simplify the process of incorporating water molecules into the binding sites and make it less ambiguous, new simple water model was created. After recalibration of the force field on...
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Ultrasound assisted synthesis of 3-alkynyl substituted 2-chloroquinoxaline derivatives: Their in silico assessment as potential ligands for N-protein of SARS-CoV-2
PublicationIn view of recent global pandemic the 3-alkynyl substituted 2-chloroquinoxaline framework has been explored as a potential template for the design of molecules targeting COVID-19. Initial in silico studies of representative compounds to assess their binding affinities via docking into the N-terminal RNA-binding domain (NTD) of N-protein of SARS-CoV-2 prompted further study of these molecules. Thus building of a small library of...
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The significance of proximity in cluster initiatives
PublicationPurpose – The main aim of this paper is to analyse relations between geographical and competence proximity and development of cooperation in cluster initiatives. Design/methodology/approach – The research was based on an original theoretical concept referring to the trajectory of development of cooperative relations in cluster initiatives. The research was carried out in mid-2017, in four purposefully selected clusterinitiatives....
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Współpraca w inicjatywach klastrowych. Rola bliskości w rozwoju powiązań kooperacyjnych
PublicationPodjęty w niniejszej publikacji problem badawczy dotyczy rozwoju powiązań kooperacyjnych w inicjatywach klastrowych. Chęć eksploracji obszaru współpracy w inicjatywach klastrowych wynikała z niedostatecznego rozpoznania i słabego opisania w literaturze przedmiotu problematyki dotyczącej rozwoju współpracy w inicjatywach klastrowych, a także ze słabości wielu inicjatyw klastrowych działających w Polsce, w których nie rozwinęły się...
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Wspólna lokalizacja jako katalizator i inhibitor rozwoju klastrów
PublicationStreszczenie: Głównym problemem badawczym poruszonym w artykule są zalety i wady wspólnej lokalizacji. Celem artykułu był przegląd koncepcji teoretycznych poświęconych konsekwencjom umiejscowienia podmiotów gospodarczych w konkretnych warunkach geograficznych i społecznych. Większość omawianych koncepcji została zaprezentowana w kontekście struktur klastrowych, dla których kwestia zakotwiczenia na określonym obszarze jest jedną...
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Podaż na Mazowszu a rozwój klastrów. Cz. 3
PublicationAutorka identyfikuje i opisuje występujące na Mazowszu inicjatywy klastrowe, szczególną uwagę poświęcając klastrom rolniczym. W ostatnich latach obserwuje się systematyczny przyrost sformalizowanych układów klastrowych w całym kraju. W przypadku inicjatyw klastrowych w woj. mazowieckim - część z nich kształtuje się w sposób naturalny - w oparciu o występujące mechanizmy rynkowe, ale większość powstała i sformalizowała się w odpowiedzi...
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Podaż na Mazowszu a rozwój klastrów. Cz.2
PublicationArtykuł zawiera główne wnioski z badań przeprowadzonych w 2005r. i 2007r. na Mazowszu pod kątem rozwoju klastrów wysokotechnologicznych. Na podstawie obliczeń współczynnika lokalizacji LQ (location quotient) zostały zidentyfikowane istotne koncentracje branż high-tech na Mazowszu, a następnie w oparciu o metodę OECD do badania interakcji zostały przeanalizowane trzy sektory high-tech występujące w obrębie Obszaru Metropolitarnego...
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An experimental study on transducer for the dds technology demonstrator
PublicationPrzedmiotem artykułu jest cylindryczny wieloelementowy przetwornik ultradźwiękowy wykonany w technologii DDS - demonstratora. Opisane zostały własności szerokopasmowego promieniowania przetwornika którego elementy zostały wykonane z piezokompozytowego materiału. W artykule zamieszczono wyniki badań wycinka próbnego - wykonanego z trzech elementów piezokompozytowych.
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Tworzenie klastra w regionie
PublicationAutorka na przykładzie inicjatywy klastrowej - Grupy MTD dowodzi, że odgórne kreowanie klastra przez władze publiczne jest przedsięwzięciem ryzykownym. Kluczowym determinantem rozwoju grona jest zaangażowany koordynator; nie mniej ważną rolę odgrywają trwałe powiązania, zaufanie, wspólnota celów i norm kulturowych. Obecność tych czynników cementuje klaster, zaś ich brak pociąga za sobą rozpad sztucznie zainicjowanej sieci.
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Możliwości zastosowania urządzenia ultradźwiękowego w aspekcie zabiegów chirurgicznych.
PublicationPrezentujemy nowe badania w zakresie możliwości zastosowania alternatywnych urządzeń w aspekcie chirurgicznego cięcia tkanki kostnej w obrębie jamy ustnej. Dotychczasowo powszechnie stosowane urządzenia mechaniczno-obrotowe mają wiele wad: łatwość przegrzania tkanki kostnej, częste uszkodzenia tkanek miękkich okolicy operowanej oraz nierówne brzegi kostne podczas cięcia. Dynamiczny rozwój nauk technicznych pozwolił na wprowadzenie...
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Korzyści funkcjonowania podmiotów w strukturach klastrowych
PublicationW niniejszym artykule autorka przedstawiła pozytywne efekty zewnętrzne, uzyskiwane dzięki wspólnej lokalizacji w klastrze, wskazując na aktywne i pasywne oraz popytowe i podażowe korzyści aglomeracji. Autorka skupiła się przede wszystkim na korzyściach związanych z przepływem wiedzy w strukturach klastrowych. Ów proces jest kluczowy dla klastrów, ponieważ stanowi zarazem przyczynę i skutek efektu synergii w klastrach: przepływ...
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Systemy innowacyjne w gospodarce
PublicationW rozdziale została przedstawiona koncepcja systemu innowacji. Autorka prezentuje definicje narodowego i regionalnego systemu innowacji oraz opisuje główne podsystemy oraz formy interakcji występujące w obrębie regionalnych systemów innowacyjnych.
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Rola inicjatyw klastrowych w kreowaniu wizerunku regionu
PublicationCelem niniejszego artykułu jest omówienie roli inicjatyw klastrowych w marketingu terytorialnym. Inicjatywy klastrowe, poprzez podejmowane działania na rzecz rozwoju regionu i funkcjonujących tam klastrów przedsiębiorstw stają się ważnym partnerem władz publicznych w działaniach ukierunkowanych na promocję i kreowanie pozytywnego wizerunku danej jednostki terytorialnej. Autorka na wybranych przykładach wskazuje na silne powiązania...
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Zarządzanie projektem innowacyjnym
PublicationW poniższym rozdziale autorka prezentuje cykl życia projektu innowacyjnego, dzieląc go na cztery główne fazy: rozpoczęcia, planowania i organizowania, wykonawstwa i zakończenia, a następnie na mniejsze działania zawarte w każdej z tych faz. Dodatkowo autorka przedstawia zbiór wykorzystywanych metod i narzędzi oraz rezultaty podejmowanych prac w każdym z opisanych etapów realizacji projektu.