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Search results for: LiCs molecule
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Influence of S-Oxidation on Cytotoxic Activity of Oxathiole-Fused Chalcones
PublicationSynthesis, in vitro cytotoxic activity, and interaction with tubulin of oxidized, isomeric 1-(5-alkoxybenzo[d] [1,3]oxathiol-6-yl)-3-phenylprop-2-en-1-ones and 1-(6- alkoxybenzo[d][1,3]oxathiol-5-yl)-3-phenylprop-2-en-1- ones are described. Most of the compounds demonstrated cytotoxic activity at submicromolar concentrations. It was found that oxidation of sulfur atom of the oxathiole-fused chalcones strongly influenced activity...
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Water-mediated long-range interactions between the internal vibrations of remote proteins
PublicationIt is generally acknowledged that the mobility of protein atoms and the mobility of water molecules in the solvation layer are connected. In this article, we answer the question whether a similar interdependence exists between the motions of atoms of proteins separated by the hydration layers of variable thickness. The system consisted of a kinesin catalytic domain and a tubulin dimer. It was studied using molecular dynamics simulations....
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Adsorption-assisted transport of water vapour in super-hydrophobic membranes filled with multilayer graphene platelets
PublicationThe effects of confinement of multilayer graphene platelets in hydrophobic microporous polymeric membranes are here examined. Intermolecular interactions between water vapour molecules and nanocomposite membranes are envisaged to originate assisted transport of water vapour in membrane distillation processes when a suitable filler-polymer ratio is reached. Mass transport coefficients are estimated under different working conditions,...
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Inhibition of amyloid fibril formation of hen egg white lysozyme by trimethylamine N-oxide at low pH
PublicationIn vitro inhibition of the formation of fibrous aggregates of proteins (amyloids) has gained increasing attention due to the number of diseases associated with protein misfolding and fibrillation. An interesting group of compounds for which pronounced activity against this phenomenon can be expected consists of low molecular weight substances (osmolytes) which have the ability to change protein stability. Here we investigate the...
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Trichloridobis(ethyldiphenylphosphine)-(tetrahydrofuran)molybdenum(III)
PublicationIn the mononuclear title compound, [MoCl3(C4H8O)(C14H15P)2], obtained by the reaction of trichlorotris(tetrahydrofuran)molybdenum(III) and ethyldiphenylphosphine in tetrahydrofuran (THF) solution, the MoIII atom is six-coordinated by one O atom of a THF molecule, two P atoms from two ethyldiphenylphosphine ligands and three Cl atoms in a distorted octahedral geometry. The C atoms of the THF molecule are disordered over two positions...
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Potassium Tri-tert-butoxysilanethiolates: Synthesis, Properties, and Crystal and Molecular Structures of [(tBuO)3SiSK]6[THF]2·2THF, {[(tBuO)3SiS]2K2}n, and [(tBuO)3SiSK]4[H2O]4·C6H6
PublicationW reakcji tri-tert-butoksysilanotiolu z potasem otrzymano trzy nowe związki:[(tBuO)3SiSK]6[THF]2·2THF, {[(tBuO)3SiS]2K2}n, i[(tBuO)3SiSK]4[H2O]4·C6H6. Stanowią one dogodne substraty w syntezach kompleksów silanotiolanowych metali przejściowych. Charakteryzują się one również różnorodnością tworzonych układów. Rentgenowska analiza strukturalna wykazała, iż tworzą one trzy typy makrocząsteczkowych układów, w których...
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Synthesis, molecular structure, and metabolic stability of new series of N' -(2-alkylthio-4-chloro-5-methylbenzenesulfonyl)-1-(5-phenyl-1 H -pyrazol-1-yl)amidine as potential anti-cancer agents
PublicationA series of new N'-(2-alkylthio-4-chloro-5-methylbenzenesulfonyl)-1-(5-phenyl-1H-pyrazol-1-yl)amidine derivatives have been synthesized and evaluated in vitro by MTT assays for their antiproliferative activity against cell lines of colon cancer HCT-116, cervical cancer HeLa and breast cancer MCF-7. The studied compounds display selective activity mainly against HCT-116 and HeLa cells. Thus, five compounds show selective cytotoxic...
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Cobalt(II) tri-tert-butoxysialanethiolates.Synthesis, properties, crystal and molecular structures of [Co{SSi(OtBu)3}2(L)] and[Co{SSi(OtBu)3}2(L)2] type complexes with monodentate nitrogen ligands.
PublicationThe title heteroleptic neutral cobalt(II) tri-tert-butoxysilanethiolate complexes with monodentate nitrogen bases (L) as additional ligands have been prepared by the reactions of [Co{μ-SSi(OtBu)3}{SSi(OtBu)3}(NH3)]2 (1) with respective bases. For pyridine both types have been prepared...
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Zakażenia bakteryjne w przewlekłym zapaleniu ucha środkowego - ocena przydatności diagnostyki molekularnej opartej o technikę PCR. Bacterial infection in chronic otitis media - assessment of usefulness of molecular diagnostic based in PCR method.
PublicationIdentyfikacja zakażeń w przewlekłym zapaleniu ucha środkowego jest trudna, o czym świadczą wysokie odsetki ujemnych wyników badań bakteriologicznych. Przyczyną tego jest trudność w uzyskiwaniu wiarygodnego materiału do badań oraz stosunkowo niska czułość klasycznych metod diagnostycznych. Amplifikacja bakteryjnego DNA techniką PCR jest badaniem, które może przyczynić się do zwiększenia efektywności i czułości badań bakteriologicznych....
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Coarse-grained simulation - an efficient approach for studying motions of large proteins
PublicationOne 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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Morphology control via dual solvent crystallization for high-mobility functionalized pentacene-blend thin film transistors
PublicationWe present an approach to improving the performance of solution processed organic semiconductor transistors based on a dual solvent system. We here apply this to a blend containing the π-conjugated small molecule 6,13 bis(triisopropylsilylethynyl) pentacene (TIPS-pentacene) and polystyrene, which acts as an inert binder. Using a semiconductor-binder solution of two solvents, where the main solvent is a better solvent of the small...
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Chiral-based optical and electrochemical biosensors: Synthesis, classification, mechanisms, nanostructures, and applications
PublicationThis review seeks to collect, summarize, classify and discuss the latest advances in chiral-based optical biosensors. Starting from the identification of chiral molecules, photoluminescence, and electrochemical sensors, applications of chiral structures in biosensing molecules are reviewed. Then, biosensors working on the basis of chirality are classified, followed by summarizing the outcomes of research works on design, synthesis,...
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Separation of C6 hydrocarbons on sodium dithionite reduced graphene oxide aerogels
PublicationThe ability of reduced graphene oxide aerogels (rGOAs) for challenging gas-phase separation was investigated with hexane isomers and benzene (C6 hydrocarbons) using inverse gas chromatography (IGC). For the first, rGOAs were synthesized with sodium dithionite (DTN) as a reductant. Experiments revealed that the most optimal DTN to graphene oxide mass ratio was 2:1, resulting in the highest specific surface area of 432.3 m2 g−1 and...
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Thermodynamics aspects of interactions between acridine derivatives and DNA
PublicationDNA is a molecular target for many anticancer and antiviral drugs. Therefore, a clear understanding of the interaction of small molecules with DNA is important in the rational design of ligands that can bind to DNA with high affinity and selectivity. There are several methods to investigate interactions between drug and DNA. Some of them measure changing into DNA structures, such as lengthening and untwisting of helix of DNA. Other...
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Expression of Deinococcus geothermalis Trehalose Synthase Gene in Escherichia coli and Its Enzymatic Properties
PublicationA novel trehalose synthase gene from Deinococcus geothermalis (DSMZ 11300) containing 1,692 bp reading-frame encoding 564 amino acids was amplified using PCR. The gene was ligated into pET30Ek/LIC vector and expressed after isopropyl alfa-D-thiogalactopyranoside induction in Escherichia coli BL21(DE3)pLysS. The recombinant trehalose synthase (DgeoTreS) containing a His6 tag at the C-terminus was purified by metal affinity chromatography...
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Revealing the Frank–Evans “Iceberg” Structures within the Solvation Layer around Hydrophobic Solutes
PublicationUsing computer simulations, the structural properties of solvation water of three model hydrophobic molecules, methane and two fullerenes (C60 and C80), were studied. Systems were simulated at temperatures in the range of 250−298 K. By analyzing both the local ordering of the molecules of water in the solvation layers and the structure of hydrogen bond network, it is shown that in the solvation layer of hydrophobic molecules, ordered...
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A negative effect of carbon phase on specific capacity of electrode material consisted of nanosized bismuth vanadate embedded in carbonaceous matrix
PublicationLithium-ion batteries (LIBs) are widely used all over the world. The LIBs belong to a renewable energy source and energy storage devices. The increase in energy demand causes that new materials of higher energy and higher power densities are still under investigation. Herein, we compare electrochemical properties of bismuth vanadate (BiVO4) embedded and not embedded into carbonaceous matrix as an anode material along with structural...
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Low-energy positron scattering from gas-phase benzene
PublicationIn this paper we are presenting calculations of the elastic cross section of positrons with gas-phase benzene for the energy range from 0.25 eV to 9.0 eV. The calculations are done with the molecular R-matrix method for positron-scattering from poly-atomic molecules using a scaling factor to scale the electron-positron interaction. The scaling factor influences the position of the poles of the R-matrix. We adjust the scaling factor...
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Anatomy of noise in quantitative biological Raman spectroscopy
PublicationRaman spectroscopy is a fundamental form of molecular spectroscopy that is widely used to investigate structures and properties of molecules using their vibrational transitions. It relies on inelastic scattering of monochromatic laser light irradiating the specimen. After appropriate filtering the scattered light is dispersed onto a detector to determine the shift from the excitation wavelength, which appears in the form of...
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Antioxidant Interactions between Major Phenolic Compounds Found in 'Ataulfo' Mango Pulp: Chlorogenic, Gallic, Protocatechuic and Vanillic Acids
PublicationPhenolic compounds are known to have antioxidant capacity; however, there is little information about molecular interactions between particular phenolics found in fruits at different developmental stages. Therefore, the total antioxidant capacity of the phenolic compounds of a fruit may not correspond to the sum of individual antioxidant capacity given by antioxidants from that tissue. In this study, individual antioxidant capacity...
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Photoelectron and threshold photoelectron valence spectra of pyridine
Publication. The pyridine molecule has been examined by the means of photoelectron and threshold photoelectron spectroscopies. Ionization energies were determined for both outer and inner valence orbitals and new adiabatic values were also resolved. Vibronic structure associated with several states was assigned mainly to be due to C–C stretches and ring bends. Additionally a Rydberg state converging to 7b2 state was ascribed. The data shown...
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Sustainability objectives and collaboration lifecycle in cluster organizations
PublicationIn our paper, we combine two issues, collaboration in cluster organizations and sustainability, aiming to answer the question: Does complex governance structure of cluster organizations support members in formulating and reaching sustainability objectives? Based on four case studies of cluster organizations and a still novel abductive approach, we present the ways in which sustainability was executed in their functioning. Our study...
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Sustainability of Cluster Organizations as Open Innovation Intermediaries
PublicationThe purpose of the paper is to identify the most important open innovation practices used by cluster organizations (COs). To reflect these practices, the paper uses the concept of the trajectory of relationship development in COs, applied in the Interizon cluster organization. Additionally, this paper introduces the potential sustainability-related implications of open innovation adoption in cluster organizations. An in-depth direct...
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The Effect of Conjugation with Octaarginine, a Cell-Penetrating Peptide on Antifungal Activity of Imidazoacridinone Derivative
PublicationAcridine cell-penetrating peptide conjugates are an extremely important family of compounds in antitumor chemotherapy. These conjugates are not so widely analysed in antimicrobial therapy, although bioactive peptides could be used as nanocarriers to smuggle antimicrobial compounds. An octaarginine conjugate of an imidazoacridinone derivative (Compound 1-R8) synthetized by us exhibited high antifungal activity against reference...
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Wetting of different solid materials with solutions of surfactants mixtures
PublicationBadanie zdolności zwilżających mieszanin niejonowego surfaktantu gemini S-10 z surfaktantami anionowymi CsDS (dodecylosiarczan cezu) i LiDS (dodecylosiarczan litu). Badane powierzchnie różniły się stopniem hydrofobowości (szkło, stal, polimetakrylan metylu). Niektóre mieszaniny wykazywały synergizm w procesie zwilżania.
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3,3'-Dibenzoyl-1,1'-dibenzyl-1,1'-(ethane-1,2-diyl)dithiourea
PublicationIn the title compound, C32H30N4O2S2, the carbonyl and thiocarbonyl groups are found in a rare synclinal conformation, with an S-C···C-O pseudo-torsion angle of 62.6(2)°. The molecule has Ci = S2 point-group symmetry with a crystallographic center of inversion located in the middle of the ethylene bridge. One of the symmetry-independent phenyl...
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Sequence-dependent structural properties of B-DNA: what have we learned in 40 years?
PublicationThe structure of B-DNA, the physiological form of the DNA molecule, has been a central topic in biology, chemistry and physics. Far from uniform and rigid, the double helix was revealed as a flexible and structurally polymorphic molecule. Conformational changes that lead to local and global changes in the helix geometry are mediated by a complex choreography of base and backbone rearrangements affecting the ability of the B-DNA...
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Dissociative Electron Attachment to 5-Iodo-4-thio-2′-deoxyuridine: A Potential Radiosensitizer of Hypoxic Cells
PublicationIn the search for effective radiosensitizers for tumor cells, halogenated uracils have attracted more attention due to their large cross section for dissociation upon the attachment of low-energy electrons. In this study, we investigated dissociative electron attachment (DEA) to 5-iodo-4-thio-2'-deoxyuridine, a potential radiosensitizer using a crossed electron-molecule beam experiment coupled with quadrupole mass spectrometry....
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Evaluation and cellular responses of modulators of TRF1/TRF2 protein’s function as potential anticancer drugs interfering with telomeric shelterin’s function
PublicationA number of proteins that interact with telomeres have been identified in human cells, indicating the high plasticity of human nucleoprotein complex organization. The most important complex is the "shelterin" complex, which consists of six proteins: TRF1, TRF2, TIN2, POT1, TPP1. The TRF1 and TRF2 directly bind to telomeric double-stranded DNA and the TIN2 protein. The TIN2 protein also binds to the TPP1 protein, stabilizing the...
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The imidazoacridinone C-1311 induces p53-dependent senescence or p53-independent apoptosis and sensitizes cancer cells to radiation
PublicationC-1311 is a small molecule, which has shown promise in a number of preclinical and clinical studies. However, the biological response to C-1311 exposure is complicated and has been reported to involve a number of cell fates. Here, we investigated the molecular signaling which determines the response to C-1311 in both cancer and non-cancer cell lines. For the first time we demonstrate that the tumor suppressor, p53 plays a key role...
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Influence of pH and low-molecular weight organic compounds in solution on selected spectroscopic and analytical parameters of flowing liquid anode atmospheric pressure glow discharge (FLA-APGD) for the optical emission spectrometric (OES) determination of Ag, Cd, and Pb
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Zinc tri-tert-butoxysilanethiolates. Syntheses, properties and crystal and molecular structures of [Zn{μ-SSi(OBut)3}(acac)]2 and [{(ButO)3SiS}(H2O)2Zn{μ-SSi(OBut)3}Zn(acac){SSi(OBut)3}]
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A. Computational analysis by molecular docking of thirty alkaloid compounds from medicinal plants as potent inhibitors of SARS-CoV-2 main protease(2020). Focused on analysis of the Medicinal plants that have potential therapeutic ability against COVID-19.
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Catena-Poly[[(tetrahydrofuran-[kappa]O)lithium(I)]-bis([mu]-trimethylsilanolato-[kappa]2O:O)-gallium(III)-bis([mu]-trimethylsilanolato-[kappa]2O:O)-[(tetrahydrofuran-[kappa]O)lithium(I)]-[mu]-bromido]
PublicationThe title chain polymer compound, [GaLi2Br(C3H9OSi)4(C4H8O)2]n, was obtained in the reaction of GaBr3 with Me3SiOLi in toluene/tetrahydrofuran. The GaIII atom, located on a twofold rotation axis, is coordinated by four trimethylsilanolate ligands and has a distorted tetrahedral geometry. The LiI atom is four coordinated by one bridging Br atom located on an inversion centre, two trimethylsilanolate ligands and one tetrahydrofurane...
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Studies on applicability of new solid-phase microextraction fibers for the selective extraction and determination of short - chain monocarboksylic acids
PublicationShort-chain monocarobxylic acids, sometimes referred to as volatile fatty acids (VFA), are a group of low molecular weight alkyl monocarboxylic acids that are widely distributed within the environment. These molecules contain any from 2 to 8 carbon atoms and originate from the anaerobic biodegradation of organic matter such as carbohydrates, proteins, and fats. These compounds are commonly found in the effluents from animal farming,...
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Aggregation of imidazoacridinones - spectroscopic and microcalorimetric approach
PublicationImidazoacridinones (IA) belong to a group of polycyclic heteroaromatic antitumor compounds. IA create the aggregated form in water solution. Self-association of substances is a very important phenomenon in many fields of applied chemistry. It is also fundamental model reaction of many kinds of molecular interactions such as the micelle formation of amphiphilic substances and the binding of small organic molecules to macromolecules....
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Effect of Acetylation and Beta‐Amylase Treatment on Complexation of Debranched Starch with Naringenin
PublicationStarch inclusion complexation has been shown to improve solubility of water insoluble molecules. Potato starch and Hylon VII are acetylated at two levels and then debranched alone or combined with β‐amylase hydrolysis, and its complexes with naringenin are prepared in aqueous conditions and characterized in this study. Both soluble and insoluble complexes are formed with the soluble complex present in the supernatant and the insoluble...
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A Highly Selective Biosensor Based on Peptide Directly Derived from the HarmOBP7 Aldehyde Binding Site
PublicationThis paper presents the results of research on determining the optimal length of a peptide chain to eectively bind octanal molecules. Peptides that map the aldehyde binding site in HarmOBP7 were immobilized on piezoelectric transducers. Based on computational studies, four Odorant Binding Protein-derived Peptides (OBPPs) with dierent sequences were selected. Molecular modelling results of ligand docking with selected peptides were...
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Unusual Influence of Fluorinated Anions on the Stretching Vibrations of Liquid Water
PublicationInfrared (IR) spectroscopy is a commonly used and invaluable tool in the studies of solvation phenomena in aqueous solutions. Concurrently, ab initio molecular dynamics (AIMD) simulations deliver the solvation shell picture at a molecular detail level and allow for a consistent decomposition of the theoretical IR spectrum into underlying spatial correlations. Here, we demonstrate how the novel spectral decomposition techniques...
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Intermolecular Interactions as a Measure of Dapsone Solubility in Neat Solvents and Binary Solvent Mixtures
PublicationDapsone is an effective antibacterial drug used to treat a variety of conditions. However, the aqueous solubility of this drug is limited, as is its permeability. This study expands the available solubility data pool for dapsone by measuring its solubility in several pure organic solvents: N-methyl-2-pyrrolidone (CAS: 872-50-4), dimethyl sulfoxide (CAS: 67-68-5), 4-formylmorpholine (CAS: 4394-85-8), tetraethylene pentamine (CAS:...
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Wdrażanie innowacji przełomowych w oparciu o wykrywanie przelotnych szans rynkowych
PublicationW niniejszym rozdziale została omówiona koncepcja innowacji przełomowej, stworzona przez C. M. Christensena. Prezentowana koncepcja wpisuje się w szkołę prostych reguł zarządzania strategicznego, a jej podstawowym założeniem jest unikanie konkurencji poprzez oferowanie produktów o odmiennej hierarchii parametrów od tych, które cenią aktualni odbiorcy na rynku. Wychwytywanie szans na innowację w koncepcji innowacji przełomowej polega...
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Przegląd programów wsparcia dla klastrów w ramach cluster-based policy ue
PublicationProblematyka współpracy w strukturach klastrowych znajduje coraz większe rzesze zwolenników - z jednej strony klastry są przedmiotem rozważań teoretycznych, podejmowanych przez naukowców reprezentujących różne podejścia i nurty badawcze, z drugiej strony fenomen klastrów został doceniony przez decydentów politycznych, którzy coraz częściej decydują się na wspieranie rozwoju klastrów w ramach inicjatyw klastrowych. Polityka wspierania...
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Finansowanie rozwoju klastrów o znaczeniu regionalnym w Regionalnych Programach Operacyjnych
PublicationNiniejszy artykuł stanowi kontynuację przeglądu programów unijnych uruchomionych w nowym okresie programowania, tj w latach 2007-2013, ukierunkowanych na wspieranie klastrów i inicjatyw klastrowych. Autorka skupia się na programach realizowanych na poziomie regionalnym, przewidzianych w ramach Regionalnych Programów Operacyjnych, za których wdrożenie w każdym województwie odpowiadają władze samorządowe, pełniące funkcję Instytucji...
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Rola władz samorządowych w kształtowaniu regionalnej polityki opartej na klastrach
PublicationArtykuł poświęcony jest omówieniu roli władz samorządowych w kształtowaniu polityki opartej o klastry. Wspieranie klastrów uznawane jest obecnie za jedno z priorytetowych działań służących zwiększeniu innowacyjności na poziomie europejskim, co znajduje swoje odzwierciedlenie w działaniach władz publicznych każdego szczebla: od supernarodowego (UE), aż po regionalny i lokalny. Dla rozwoju klastra, bazującego na uwarunkowaniach regionalnych...
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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.
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Parki naukowe i inkubatory przedsiębiorczości w teorii i praktyce gospodarczej
PublicationW niniejszym rozdziale autorka skupia się na wybranych instytucjach pomostowych bazujących na nieruchomościach - parkach naukowych i inkubatorach przedsiębiorczości. Kolebką wskazanych instytucji są Stany Zjednoczone, gdzie uruchomiono pierwsze parki naukowe, jak również pionierskie programy inkubacji. Bazując na analizie literatury autorka prezentuje definicje parków naukowych i koncepcji pokrewnych - parków technologicznych i...
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Badanie instytucji pomostowych w kontekście współpracy z sektorem badawczo-rozwojowym w USA
PublicationNiniejszy rozdział koncentruje się wokół zagadnień związanych ze współpracą instytucji pomostowych z ośrodkami badawczo-rozwojowymi. Autorka, na podstawie badań przeprowadzonych w USA wskazuje na rolę, jaką powyższe instytucje pełnią w procesach transferu technologii i komercjalizacji wyników prac B+R - analizuje siłę i rodzaj interakcji występujących między parkami naukowymi i inkubatorami przedsiębiorczości oraz ich lokatorami...