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Emerging oxidized and defective phases in low-dimensional CrCl3
PublikacjaTwo-dimensional (2D) magnets such as chromium trihalides CrX3 (X ¼ I, Br, Cl) represent a frontier for spintronics applications and, in particular, CrCl3 has attracted research interest due its relative stability under ambient conditions without rapid degradation, as opposed to CrI3. Herein, mechanically exfoliated CrCl3 flakes are characterized at the atomic scale and the electronic structures of pristine, oxidized, and defective...
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Effect of small quantities of potassium promoter and steam on the catalytic properties of nickel catalysts in dry/combined methane reforming
PublikacjaCarbon dioxide and methane are two of the principal greenhouse gases. Reduction of their content in the atmosphere is currently the subject of much worldwide research. Dry and combined reforming of methane are effective methods of CO2 and CH4 utilization and production of synthesis gas (syngas) in chemical technology. Testing of catalysts that provide the desired H2/CO ratio and long operation time is one of the critical aspects...
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Molecular Dynamics to Predict Cryo-EM: Capturing Transitions and Short-Lived Conformational States of Biomolecules
PublikacjaSingle-particle cryogenic electron microscopy (cryo-EM) has revolutionized the field of the structural biology, providing an access to the atomic resolution structures of large biomolecular complexes in their near-native environment. Today’s cryo-EM maps can frequently reach the atomic-level resolution, while often containing a range of resolutions, with conformationally variable regions obtained at 6 Å or worse. Low resolution...
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Opto-Electrochemical Sensing Device Based on Long-Period Grating Coated with Boron-Doped Diamond Thin Film
PublikacjaThe fabrication process of thin boron-doped nanocrystalline diamond (B-NCD) microelectrodes on fused silica single mode optical fiber cladding has been investigated. The B-NCD films were deposited on the fibers using Microwave Plasma Assisted Chemical Vapor Deposition (MW PA CVD) at glass substrate temperature of 475 ºC. We have obtained homogenous, continuous and polycrystalline surface morphology with high sp3 content in B-NCD...
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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment
PublikacjaThe UNited RESidue (UNRES) force field was tested in the 14th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP14), in which larger oligomeric and multimeric targets were present compared to previous editions. Three prediction modes were tested (i) ab initio (the UNRES group), (ii) contact-assisted (the UNRES- contact group), and (iii) template-assisted (the UNRES-template...
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Fabrication methods of smart composite coatings - review
PublikacjaPostoperative bacterial infections are one of the main reasons for unsuccessful implantation of long-term implants. The development of bacterial infection requires antibiotic therapy, in extreme cases a reimplantation procedure is necessary. In order to provide materials for implants with antibacterial properties, they are subjected to modifications to create a coating that will release the drug substance, when the inflammation...
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Shape-dependent enhanced photocatalytic effect under visible light of Ag3PO4 particles
PublikacjaSilver phosphate (Ag3PO4) could be considered as visible light induced photocatalyst for pollutants degradation, due to its narrow band gap (∼2.4 eV). However, Ag3PO4 photoactivity depends on surface properties and synthesis route. In this study, differently shaped Ag3PO4 photocatalysts have been synthesized through the precipitation, ion exchange, soft-chemical or hydrothermal method. To correlate surface properties with photoactivity all...
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Mechanisms of Damage to DNA Labeled with Electrophilic Nucleobases Induced by Ionizing or UV Radiation
PublikacjaHypoxia—a hallmark of solid tumors—makes hypoxic cells radioresistant. On the other hand, DNA, the main target of anticancer therapy, is not sensitive to the near UV photons and hydrated electrons, one of the major products of water radiolysis under hypoxic conditions. A possible way to overcome these obstacles to the efficient radio- and photodynamic therapy of cancer is to sensitize the cellular DNA to electrons and/or ultraviolet...
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How to teach architecture? – Remarks on the edge of Polish transformation processes after 1989
PublikacjaThe political changes in Poland after 1989 have resulted in a whole range of dynamic processes including the transformation of space. Until that time the established institutional framework for spatial, urban and architectural planning policy was based on uniform provisions of the so-called planned economy. The same applied to the training of architects, which was based on a unified profile of education provided at the state’s...
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Effect of Polymerization Statistics on the Electronic Properties of Copolymers for Organic Photovoltaics
PublikacjaStatistical block copolymers, composed of donor (D) and acceptor (A) blocks, are a novel type of material for organic photovoltaics (OPVs) devices. In particular a new series of polymers based on PBTZT-stat-BDTT-8, recently developed by Merck, offers high solubility in different solvents, and a high power conversion efficiency (PCE) in different device architectures. Although it is known that the electronic properties of these...
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Exploring the interfacial effects at the ETL/perovskite boundary in the semitransparent perovskite solar cells
PublikacjaThe 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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The ONETEP linear-scaling density functional theory program
PublikacjaWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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Transport deficiency is the molecular basis of Candida albicans resistance to antifungal oligopeptides
Publikacja(FMDP), an inhibitor of glucosamine-6-phosphate synthase, exhibited growth inhibitory activity against Candida albicans, with minimal inhibitory concentration values in the 0.05–50 mg/L range. Uptake by the peptide permeases was found to be the main factor limiting an anticandidal activity of these compounds. Di- and tripeptide containing FMDP (F2 and F3) were transported by Ptr2p/Ptr22p peptide transporters (PTR) and FMDP-containing...
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Can bottom sediments be a prospective fertilizing material? A chemical composition analysis for potential reuse in agriculture.
PublikacjaEvery year huge amounts of bottom sediments are extracted worldwide, which need to be dis-posed. The recycling of bottom sediments for soil fertilization is in line with the long-promoted circular economy policy and enables the use of micro and macronutrients accumulated in sedi-ments for soil fertilization. When considering potential agricultural reuse of the dredge sediments, the first necessary step should be to analyze whether...
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Hydrothermal modification of TiO2 nanotubes in water and alkali metal electrolytes (LiNO3, NaNO3, KNO3) – Direct evidence for photocatalytic activity enhancement
PublikacjaThe influence of hydrothermal annealing (HA) of TiO2 nanotubes (TiO2-NTs) in various baths (H2O, LiNO3, NaNO3, KNO3 performed for 4 h, 24 h, 64 h), on their photocatalytic and photoelectrocatalytic properties, was studied. The use of electrolytes was to enable the monitoring of photoactivity changes as a result of the expected impact on the population of hydroxyl groups on the surface. The assumption turned out to be correct and...
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Low temperature growth of diamond films on optical fibers using Linear Antenna CVD system
PublikacjaIt is not trivial to achieve a good quality diamond-coated fibre interface due to a large difference in the properties and composition of the diamond films (or use coating even) and the optical fibre material, i.e. fused silica. One of the biggest problems is the high temperature during the deposition which influences the optical fibre or optical fibre sensor structure (e.g. long-period gratings (LPG)). The greatest advantage of...
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In situ spectroelectrochemical and theoretical study on the oxidation of a 4H-imidazole-ruthenium dye adsorbed on nanocrystalline TiO2thin film electrodes
PublikacjaTerpyridine 4H-imidazole-ruthenium(ii) complexes are considered promising candidates for use as sensitizers in dye sensitized solar cells (DSSCs) by displaying broad absorption in the visible range, where the dominant absorption features are due to metal-to-ligand charge transfer (MLCT) transitions. The ruthenium(iii) intermediates resulting from photoinduced MLCT transitions are essential intermediates in the photoredox-cycle...
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Polyurethanes Crosslinked with Poly(vinyl alcohol) as a Slowly-Degradable and Hydrophilic Materials of Potential Use in Regenerative Medicine
PublikacjaNovel, slowly-degradable and hydrophilic materials with proper mechanical properties and surface characteristics are in great demand within the biomedical field. In this paper, the design, synthesis, and characterization of polyurethanes (PUR) crosslinked with poly(vinyl alcohol) (PVA) as a new proposition for regenerative medicine is described. PVA-crosslinked PURs were synthesized by a two-step polymerization performed in a solvent...
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Noise Generated by Tyres Designet for Electric Vehicles - Results of Laboratory Experiments
PublikacjaA few years ago, electric and hybrid vehicles were rarely seen on public roads and were considered more as exotic curiosities or even as a sign of extravagance than a practical means of transport. Nowadays the situation has changes significantly. This was caused both by the technical development and legislative actions, as well as the organizational nature promoting the purchace and use of low emission vehicles. Electric vehicles...
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New Chalcones Derivatives With Potent Antitumor Activity And Their Metabolism In Vitro
PublikacjaChalcone derivatives exhibit a broad range of biological activities, with antioxidant and cytotoxic properties among the most studied. Despite numerous reports on chalcones as cytotoxic, and potentially anticancer agents, very little is know on their actual mechanism of activity. Generally, chalcones are considered as antimitotic agents, which interfere with tubulin assembly.We have recently developed a new class of chalcones with...
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Dendron to Central Core S1–S1 and S2–Sn (n>1) Energy Transfers in Artificial Special Pairs Containing Dendrimers with Limited Numbers of Conformations
PublikacjaTwo dendrimers consisting of a cofacial free-base bisporphyrin held by a biphenylene spacer and functionalized with 4-benzeneoxomethane (5-(4-benzene)tri-10,15,20-(4-n-octylbenzene)zinc(II)porphyrin) using either five or six of the six available meso-positions, have been synthesized and characterized as models for the antenna effect in Photosystems I and II. The presence of the short linkers, -CH2O-, and long C8H17 soluble side...
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Nonlocal Models of Plates and Shells with Applications in Micro- and Nanomechanics
PublikacjaNowadays, the use of small-scale structures in micro/nanomachines has become more and more widespread. The most important applications of such small-sized parts are in micro-electro-mechanical systems (MEMS) as well as nano-electro-mechanical systems (NEMS) as actuators, sensors, energy harvesters. For example, nanosensors are nanoscale devices that measure physical quantities and convert these to signals that can be detected and...
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G2DC-PL+: a gridded 2 km daily climate dataset for the union of the Polish territory and the Vistula and Odra basins
PublikacjaG2DC-PL+, a gridded 2 km daily climate dataset for the union of the Polish territory and the Vistula and Odra basins, is an update and extension of the CHASE-PL Forcing Data – Gridded Daily Precipitation and Temperature Dataset – 5 km (CPLFD-GDPT5). The latter was the first publicly available, high-resolution climate forcing dataset in Poland, used for a range of purposes including hydrological modelling and bias correction of...
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Valorization of waste cabbage leaves by postharvest photochemical treatments monitored with a non-destructive fluorescence-based sensor
PublikacjaThe biosynthesis of polyphenolic compounds in cabbage waste, outer green leaves of white head cabbage (Brassica oleracea L. var. capitata subvar. alba), was stimulated by postharvest irradiation with UVB lamps or sunlight. Both treatments boosted the content of kaempferol and quercetin glycosides, especially in the basal leaf zone, as determined by the HPLC analysis of leaf extracts and by a non-destructive optical sensor. The...
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Signature of Oxide-Ion Conduction in Alkaline-Earth-Metal-Doped Y3GaO6
PublikacjaWe have studied alkaline-earth-metal-doped Y3GaO6 as a new family of oxide-ion conductor. Solid solutions of Y3GaO6 and 2% −Ca2+-, −Sr2+-, and −Ba2+-doped Y3GaO6, i.e., Y(3−0.06)M0.06GaO6−δ (M = Ca2+, Sr2+, and Ba2+), were prepared via a conventional solid-state reaction route. X-ray Rietveld refined diffractograms of all the compositions showed the formation of an orthorhombic structure having the Cmc21 space group. Scanning electron...
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The effect of boron concentration on the electrical, morphological and optical properties of boron-doped nanocrystalline diamond sheets: Tuning the diamond-on-graphene vertical junction
PublikacjaIn this paper, the effect of boron doping on the electrical, morphological and structural properties of free-standing nanocrystalline diamond sheets (thickness ~ 1 μm) was investigated. For this purpose, we used diamond films delaminated from a mirror-polished tantalum substrate following a microwave plasma-assisted chemical vapor deposition process, each grown with a different [B]/[C] ratio (up to 20,000 ppm) in the gas phase....
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POSSIBILITIES OF ELECTRICAL ENERGY GENERATION IN PHOTOVOLTAIC SYSTEMS INSTALLED IN CENTRAL EUROPE
PublikacjaNowadays, fossil fuels are the main sources of energy from which electricity is obtained. But these sources will not last forever, so in due course renewable energies will have to replace them in this role. One of these new sources is solar energy. To generate electricity from sunlight, solar (photovoltaic - PV) cells and modules are used. The increasing interest in PV cells and modules worldwide is due mainly to the fact that...
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Theory and application of Near-infrared spectroscopy
PublikacjaIn recent years one can observe a significant increase in the requirements on quality control in all industrial sectors. The growing number of involved analyses makes the traditional, time consuming, requiring use of large quantities of reagents, thus expansive methods inconvenient especially for industrial applications. Fortunately, there is a very fast, cheap and not invasive analytical method that is increasingly used in qualitative...
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Kinetics of pollutants removal in vertical and horizontal flow constructed wetlands in temperate climate
PublikacjaThis paper reports a comparative study on kinetics of organic matter expressed as BOD5 and nitrogen removal in constructed wetlands operated in Poland. Analyzed data were collected at eight wetland systems, composed of subsurface flow beds: horizontal flow (HF) and vertical flow (VF), in different number and sequences. The analysis involved particularly mass removal rates (MRR) and first-order removal rate coefficients of BOD5...
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Spin and Orbital Effects on Asymmetric Exchange Interaction in Polar Magnets: M(IO3)2 (M = Cu and Mn)
PublikacjaMagnetic polar materials feature an astonishing range of physical properties, such as magnetoelectric coupling, chiral spin textures, and related new spin topology physics. This is primarily attributable to their lack of space inversion symmetry in conjunction with unpaired electrons, potentially facilitating an asymmetric Dzyaloshinskii–Moriya (DM) exchange interaction supported by spin–orbital and electron–lattice coupling. However,...
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The added value of using the HEPA PAT for physical activity policy monitoring: a four-country comparison
PublikacjaBackground Public policy is increasingly recognized as an important component of physical activity promotion. This paper reports on the current status of physical activity policy development and implementation in four European countries based on the Health-Enhancing Physical Activity Policy Audit Tool (HEPA PAT) developed by WHO. It compares the findings to previous studies and discusses the general utility of this tool and its...
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Badania i analiza uwarunkowań propagacyjnych w środowisku uprzemysłowionym
PublikacjaGłówne osiągnięcia rozprawy: - wykonanie – zgodnie z wymaganiami normatywnymi zawartymi w zaleceniach ITU-R – nowatorskich badań tłumienia sygnału radiowego na terenie Głębokowodnego Terminalu Kontenerowego (ang. Deepwater Container Terminal - DCT) w Gdańsku i zebranie obszernego materiału pomiarowego, liczącego blisko 290 tysięcy przypadków propagacyjnych, - przeprowadzenie statystycznych badań przydatności wybranych znanych modeli...
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Teams tools. Leading high-performance teams with different types of intelligence
PublikacjaThe subject of this paper is the analysis of necessary tools for global teams, image of the team leader, styles of leadership in global teams. The analysis is based on selected examples from high-performance teams with visible results. The purpose of the work is to answer for the following questions: What are the characteristics of the leading global teams? Which style of leadership use the global teams? Is a female leader different...
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Fuzyjne polimerazy DNA – otrzymywanie, charakterystyka i zastosowanie
PublikacjaObecnie reakcje PCR (ang. Polymerase Chain Reaction) wykazują bardzo szerokie zastosowanie w diagnostyce medycznej, biologii molekularnej czy inżynierii genetycznej. Efektywność tych reakcji rozumiana jako wydajność i wierność przeprowadzonej amplifikacji jest nieodłącznie związana ze stosowaną polimerazą DNA i warunkami prowadzenia reakcji PCR. Aby sprostać wymaganiom stawianym przez nowoczesne metody diagnostyczne oraz współczesną...
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Zrównoważony rozwój lokalny. Podstawy teoretyczne i działania praktyczne
PublikacjaRozwój zrównoważony to jedna z koncepcji rozwoju lokalnego. Celem monografii jest prezentacja podstaw tego rozwoju na poziomie lokalnym oraz ukazanie jego przejawów i działań praktycznych w sferach gospodarczej, społecznej i ekologicznej, ze szczególnym uwzględnieniem dwóch wewnętrznych czynników rozwojowych – turystyki i oświaty. W pierwszym rozdziale przedstawiono teoretyczne podstawy rozwoju lokalnego. Omówiono najpowszechniej...
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Multimedia System for Environmental Noise Monitoring. [Multimedialny System Monitorowania Hałasu Środowiskowego]
PublikacjaIntroductionNumerous reports relating to noise threats in Poland indicate that they occur commonly. The noise has an enormous impact on the health and life quality of the human beings. Noise pollution in Poland is greater than in others UE countries, moreover it has been increased recently. Taking into account 2002/49/WE directive related to the control and assessment of environmental noise a necessity of monitoring these threats...
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PUBLICZNE ŚRODKI TRANSPORTOWE A SAMOCHÓD ELEKTRYCZNY W OBSŁUDZE PODRÓŻY MIEJSKICH W METROPOLII TRÓJMIEJSKIEJ
PublikacjaMetropolia trójmiejska ma wyjątkowo negatywne uwarunkowania terenowe dla funkcjonowania i rozwoju sieci komunikacji publicWyznej. Dzielnice położone w tzw. dolnym tarasie są dobrze skomunikowane za pomocą linii SKM i tramwajowych. Jedynie te środki komunikacji szynowej, przy częstotliwości połączeń nie większej niż co 10 minut, są konkurencyjne dla indywidualnych dojazdów samochodami osobowymi. Natomiast autobusy i trolejbusy utykające...
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Quantum-classical calculations of the nanomechanical properties of metals
PublikacjaTradycyjnie symulacje komputerowe układów w skali atomowej prowadzone są przy użyciu klasycznej metody dynamiki molekularnej (MD) bądź kwantowych metod ab initio. Główną wadą ujęcia klasycznego jest jego empiryczna natura, a co za tym idzie - niewielka przenośność, jego prostota natomiast pozwala na przeprowadzanie symulacji układów zawierających miliony atomów. W wyniku zastosowania metod kwantowych otrzymuje się bardziej wiarygodne...