Search results for: free energy
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The laws of thermodynamics: entropy, free energy, information and complexity
PublicationW rozdziale przedstawiono podstawowe Zasady Termodynamiki. Omówiono zagadnienia związane z pojęciem entropii, energii Gibbsa, egzergii oraz systemami złożonymi.
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The quantum free energy barrier for hydrogen vacancy diffusion in Na3AlH6
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Binding free energy of selected anticancer compounds to DNA - theoreticalcalculations
PublicationPraca dotyczy swobodnej energii wiązania z DNA trzech związków o działaniu przeciwnowotworowym (mitoksantronu i dwóch pochodnych pirymidoakrydyny). Obliczenia wykorzystywały metody Poissona-Boltzmanna (udział elektrostatyczny) i metody SASA (udział nieelektrostatyczny). W wyniku badań zaproponowano struktury kompleksów jakie tworzą badane ligandy z DNA.
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublicationAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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The Effect of Sterols on Amphotericin B Self-Aggregation in a Lipid Bilayer as Revealed by Free Energy Simulations
PublicationAmphotericin B (AmB) is an effective but toxic antifungal drug, known to increase the permeability of the cell membrane, presumably by assembling into transmembrane pores in a sterol-dependent manner. The aggregation of AmB molecules in a phospholipid bilayer is, thus, crucial for the drug’s activity. To provide an insight into the molecular nature of this process, here, we report an atomistic molecular dynamics simulation study...
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MM/PBSA analysis of molecular dynamics simulations of bovine beta-lactoglobulin: free energy gradients in conformational transitions?
PublicationPraca dotyczy pH zależnych zmian konformacyjnych EF pętli beta-laktoglobuliny. Zmiany te są śledzone za pomocą metod obliczeniowych chemii (dynamika molekularna oraz metody MM/PBSA).
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Evaluation the environmental fate of pharmaceuticals using a level III model based on poly-parameter linear free energy relationships
PublicationOpisano możliwości zastosowania modelu ''Level III Model'' do opisu losu środowiskowego pozostałości farmaceutyków w środowisku. Zastosowany model umożliwia oszacowanie trwałości, stężeń oraz transportu poszczególnych zanieczyszczeń pomiędzy poszczególnymi elementami składowymi środowiska (powietrze, woda, gleba i osady denne).
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How do sterols determine the antufungal activitiy of amphotericin B? Free energy of binding between the drug and its membrane targets.
PublicationAmphotericin B (AmB) is a well-known polyene antibiotic used to treat systemic fungal infections. It is commonly accepted that the presence of sterols in the membrane is essential for the AmB biological activity, that is, for the formation of transmembrane ion channels. The selective toxicity of AmB for fungal cells is attributed to the fact that it is more potent against fungal cell membranes containing ergosterol than against...
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Geometry optimization of steroid sulfatase inhibitors - the influence on the free binding energy with STS
PublicationIn the paper we review the application of two techniques (molecular mechanics and quantum mechanics) to study the influence of geometry optimization of the steroid sulfatase inhibitors on the values of descriptors coded their chemical structure and their free binding energy with the STS protein. We selected 22 STS-inhibitors and compared their structures optimized with MM+, PM7 and DFT B3LYP/6–31++G* approaches considering separately...
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Free-surface elevation in open vortex flow controls
PublicationRotational form of fluid motion is complex, but very important in science and technology. The paper is devoted to the hydraulic mechanism of flow in open vortex flow controls, or regulators. The velocity field was described by the kinematic model, and intensity of rotation - by means of the energy balance between the input and dissipation. In consequence some algebraic expresions were obtained, which can be useful in approximated...
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Multiple sound sources localization in free field using acoustic vector sensor
PublicationMethod and preliminary results of multiple sound sources localization in free field using the acoustic vector sensor were presented in this study. Direction of arrival (DOA) for considered source was determined based on sound intensity method supported by Fourier analysis. Obtained spectrum components for considered signal allowed to determine the DOA value for the particular frequency independently. The accuracy of the developed...
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Calibration-Free Single-Anchor Indoor Localization Using an ESPAR Antenna
PublicationIn this paper, we present a novel, low-cost approach to indoor localization that is capable of performing localization processes in real indoor environments and does not require calibration or recalibration procedures. To this end, we propose a single-anchor architecture and design based on an electronically steerable parasitic array radiator (ESPAR) antenna and Nordic Semiconductor nRF52840 utilizing Bluetooth Low Energy (BLE)...
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On the differential effect of temperature on the Nusselt-Rayleigh relationship in free convection
PublicationThe aim of and inspiration behind this paper was to explain the reasons, also observed by other researchers, of the discrepancy in the results of experimental free convection, which for small Rayleigh and Nusselt numbers in the initial phase of research can sometimes reach several hundred percent. These discrepancies decrease with increasing heating power and plate surface temperature, in proportion to the increase in Ra and Nu,...
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EXPERIMENTAL INVESTIGATION OF FREE CONVECTION OF GLYCOL-Al2O3 NANOFLUID FROM HORIZONTAL TUBE
PublicationNanofluids came to be seen as a new generation of coolants, both in single- and two phase systems. Furthermore, nanofluids or nanocomposites may be used as a media in a thermal energy storage (TES) in such systems as sensible heat storage (SHS) and phase change materials (PCM). In the SHS systems the dominating mechanism of the heat transfer is natural convection. However, in the literature only a few investigations of free convection...
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Experimental investigation of free convection of glycol-Al2O3 nanofluid from horizontal tube
PublicationNanofluids came to be seen as a new generation of coolants, both in single- and two phase systems. Furthermore, nanofluids or nanocomposites may be used as a media in a thermal energy storage (TES) in such systems as sensible heat storage (SHS) and phase change materials (PCM). In the SHS systems the dominating mechanism of the heat transfer is natural convection. However, in the literature only a few investigations of free convection...
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A Numerical Study on Baseline-Free Damage Detection Using Frequency Steerable Acoustic Transducers
PublicationIn structural health monitoring (SHM) a considerable amount of damage detection algorithms based on guided waves (GW) have been developed. Most of them rely on extensive transducer networks, besides preliminary reference measurements of the structures. This originated a growing demand for hardware simplification and cost reduction of the wave-based SHM methods, driving the conception of new solutions enabling both: the reduction...
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Quantitative study of free convective heat losses from thermodynamic partitions using Thermal Imaging
PublicationThe following paper presents a simple method of determining the presence, distribution and values of heat losses from external building walls as thermodynamic partitions using a Thermal Imaging Camera (TIC). According to Fourier's equation, the value of heat loss is proportional to the temperature gradient ∂t/∂y|y=0 in air in the y direction perpendicular to the heated surface. Unfortunately, air temperature cannot be measured...
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Role of nitrogen in optical and electrical band gaps of hydrogenated/hydrogen free carbon nitride film
PublicationWe report the optical and electrical band gap energy of amorphous hydrogenated carbon nitride (a-HCNx) and carbon nitride (a-CNx) as a function of nitrogen concentration (N/C). The optical band gap of a-HCNx and a-CNx films has been determined by means of Ellipsometry and UV-VIS. Both optical and electrical band gaps increase with elevated nitrogen concentration. Experimentally obtained electrical band gap is compared with the...
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The geometry of free-standing titania nanotubes as a critical factor controlling their optical and photoelectrochemical performance
PublicationTitanium dioxide nanotubes are regarded as one of the most important functional materials and due to their unique electronic properties, chemical stability and photocorrosion resistance, they find applications in, for example, highly efficient photocatalysis or perovskite solar cells. Nevertheless, modification of TiO2 nanotubes is required to overcome their main drawback, i.e. large energy bandgap (>3.2 eV) limiting their ability...
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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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Anti-plane waves in an elastic thin strip with surface energy
PublicationWe consider anti-plane motions of an elastic plate taking into account surface energy within the linear Gurtin–Murdoch surface elasticity. Two boundary-value problems are considered that describe complete shear dynamics of a plate with free faces or with free and clamped faces, respectively. These problems correspond to anti-plane dynamics of an elastic film perfectly or non-perfectly attached to a rigid substrate. Detailed analysis...
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Design and Evaluation of the Compact and Autonomous Energy Subsystem of a Wave Energy Converter
PublicationThis paper presents the results of the design process focused on the development of the energy subsystem (ES) of a wave energy converter (WEC). The ES is an important electrical part that significantly affects the energy reliability and energy efficiency of the entire WEC device. The designed ES was intended for compact WECs powering IoT network devices working in the distributed grid. The developed ES is an electronic circuit...
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Decentralized Microgrid Energy Management System with Market-Based Energy Trade System
PublicationThis paper presents a decentralized energy management system for a power microgrid, which integrates individual users, who own renewable energy sources and energy storages. The purpose of the system is to make optimal use of available resources to cover the electricity needs of the whole microgrid. Thanks to the energy exchange system, in addition to exchanges with the distribution network, the system also allows trades within...
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Designing efficient A-D-A1-D-A type fullerene free acceptor molecules with enhanced power conversion efficiency for solar cell applications
PublicationThe achievement of highly efficient power conversion efficiency (PCE) is a big concern for non-fullerene organic solar cells (NF-OSCs) because PCE can depend on numerous variables. Here, new five novel acceptor molecules without fullerenes were developed and investigated using DFT (density functional theory) and TD-DFT (time dependent-density functional theory). Compared to the recently synthesized molecule (PZ-dIDTC6), the developed...
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Ewa Klugmann-Radziemska prof. dr hab.
PeopleEwa Klugmann-Radziemska graduated from the University of Gdansk with a degree in physics, and since 1996 has been associated with the Gdansk University of Technology, when she began PhD studies. Currently, he is a professor at the Faculty of Chemistry at the Gdansk University of Technology, since 2006 head of the Department of Chemical Apparatus and Machinery. In the years 2008–2016 she was the Vice-Dean for cooperation and development,...
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Isocyanate-Free Polyurethanes
PublicationIsocyanate-free polyurethanes (also called non-isocyanate polyurethanes, or NIPUs) are alternatives to the conventional (commercially used) polyurethanes synthesized using di- or polyisocyanates, polyols, and chain extenders with low molecular weight. The major routes of NIPUs’ synthesis involve polyaddition of cyclic carbonates and di- or polyamines, polycondensation of carbamates, and diols. The most important intermediates are...
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Nano Tin/Tin Oxide Attached onto Graphene Oxide Skeleton as a Fluorine Free Anode Material for Lithium-Ion Batteries
PublicationHerein, we show a composite formation method of tin/tin oxide nanoparticles with graphene oxide and CMC based on laser ablation technique as an electrode material for energy storage devices. The material exhibited a three-dimensional conducting graphene oxide network decorated with tin or tin oxide nanoparticles. The structure, homogeneous distribution of nanoparticles, and direct contact between inorganic and organic parts were...
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Structure and properties comparison of poly(ether-urethane)s based on nonpetrochemical and petrochemical polyols obtained by solvent free two-step method
PublicationThe application of thermoplastic polyurethanes (TPU) is becoming more and more extensive, and the decreasing of used petrochemical monomers and reduction of energy for the polymerization and processing processes is getting increasingly important. In this paper, we confirmed the positive influence of high bio-based monomers contents (by replacing petrochemical polyol and glycol by bio-based counterparts) on processing and properties...
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Mechanochemical Energy Transduction during the Main Rotary Step in the Synthesis Cycle of F1-ATPase
PublicationF1-ATPase is a highly efficient molecular motor that can synthesize ATP driven by a mechanical torque. Its ability to function reversibly in either direction requires tight mechanochemical coupling between the catalytic domain and the rotating central shaft, as well as temporal control of substrate binding and product release. Despite great efforts and significant progress, the molecular details of this synchronized and fine-tuned...
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Collision-free network exploration
PublicationMobile agents start at different nodes of an n-node network. The agents synchronously move along the network edges in a collision-free way, i.e., in no round two agents may occupy the same node. An agent has no knowledge of the number and initial positions of other agents. We are looking for the shortest time required to reach a configuration in which each agent has visited all nodes and returned to its starting location. In...
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Collision-Free Network Exploration
PublicationA set of mobile agents is placed at different nodes of a n-node network. The agents synchronously move along the network edges in a collision-free way, i.e., in no round may two agents occupy the same node. In each round, an agent may choose to stay at its currently occupied node or to move to one of its neighbors. An agent has no knowledge of the number and initial positions of other agents. We are looking for the shortest possible...
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Michał Ryms dr inż.
PeopleMichał Ryms, PhD, Eng. is the physicist, graduate of the Gdańsk University of Technology. PhD thesis defended at the Chemical Faculty. Since 2011 an employee at the Department of Chemical Apparatus and Theory of Machines, Chemical Faculty, Gdansk University of Technology, POLAND – now as an assistant professor. His research interests includes: improvement of energy efficiency and possibilities of new application of phase change...
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Branched Poly(l-lysine)-Derived Nitrogen-Containing Porous Carbon Flake as the Metal-Free Electrocatalyst toward Efficient Oxygen Reduction Reaction
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INFLUENCE OF THE HULL SHAPE ON THE ENERGY DEMAND OF A SMALL INLAND VESSEL WITH HYBRID PROPULSION
PublicationRecently, there has been a significant development of ecological propulsion systems, which is in line with the general trend of environmentally friendly “green shipping”. The main aim is to build a safe, low-energy passenger ship with a highly efficient, emission-free propulsion system. This can be achieved in a variety of ways. The article presents the main problems encountered by designers and constructors already at the stage...
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Survivability analysis of scale-free networks
PublicationPraca dotyczy aspektów złośliwej kompromitacji stacji sieciowych poprzez epidemie wirusów komputerowych oraz ataki hackerskie. Opisano nowy autorski model analizy przeżywalności atakowanych sieci bezskalowych i ocenę metod zabezpieczeń. Pokazano wyniki modelowania efektywności środków powstrzymujących epidemie wirusów, polityk filtracji w ścianach ogniowych, efektywności blokowania adresów. Wszystkie wyniki są oryginalne i publikowane...
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Free vibration of truncated-cone columns
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POLFEL - Free Electron Laser in Poland
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Dynamic F-free Coloring of Graphs
PublicationA problem of graph F-free coloring consists in partitioning the vertex set of a graph such that none of the resulting sets induces a graph containing a fixed graph F as an induced subgraph. In this paper we consider dynamic F-free coloring in which, similarly as in online coloring, the graph to be colored is not known in advance; it is gradually revealed to the coloring algorithm that has to color each vertex upon request as well...
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Covariance approach to the free photon field
PublicationWprowadziliśmy teorię fotonu poprzez tą samą zasadę, co dla pojedynczej czą-stki w kwantowej mechanice używając C*-algebraicznego podejścia kowariantychukładów.
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
Open Research DataThis data presents potential energy surfaces of Li atom interacting with LiCs dimer for the ground and first excited state. They were calculated using effective core potentials and MRCI method and include relativistic effects. The interatomic distance in the dimer is kept constant and equal to experimental value of 6.931704423 bohrs (3.6681 A). Energy...
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ENERGY EFFICIENT SMALL INLAND PASSENGER SHUTTLE FERRY WITH HYBRID PROPULSION - CONCEPT DESIGN, CALCULATIONS AND MODEL TESTS
PublicationIn recent years, there has been a significant development in “green” and energy efficient propulsion systems, which fits into the general trend of environmentally friendly “green shipping”. The pursued goal is to construct a safe passenger ship that is low in energy demand and equipped with a highly energy efficient, emission-free propulsion system. The paper presents main problems encountered by designers of a small, hybrid-powered...
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Independence in uniform linear triangle-free hypergraphs
PublicationThe independence number a(H) of a hypergraph H is the maximum cardinality of a set of vertices of H that does not contain an edge of H. Generalizing Shearer’s classical lower bound on the independence number of triangle-free graphs Shearer (1991), and considerably improving recent results of Li and Zang (2006) and Chishti et al. (2014), we show a new lower bound for a(H) for an r-uniform linear triangle-free hypergraph H with r>=2.
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Hearing aid operating in acoustical free field
PublicationAparatowanie bardzo małych dzieci (od 5 miesiąca życia) za pomocą standardowych protez słuchu natrafia na wiele trudności natury praktycznej. Dotyczy to procesu dopasowania aparatu słuchowego, czyli doboru jego ustawień stosownie do aktualnych charakterystyk ubytku słuchu dzieci. Tymczasem wczesne aparatowanie jest zagadnieniem o ogromnym zanczeniu dla rozwoju słuchu, mowy i ogólnej inteligencji dziecka. Referat prezentuje uzyskane...
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Production of gaseous matrix-free reference materials
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Free electron laser infrastructure in Europe 2012
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The solvent-free thermal dehydration of hexitols on zeolites
PublicationPodczas termicznej dehydratacji heksytoli w obecności zeolitów otrzymano szereg produktów zachodzących zarówno z inwersją lub retencją konfiguracji przy asymetrycznych atomach węgla. Produkty rozdzielano i identyfikowano przy pomocy chromatografii i spektroskopii NMR. 1,4:3,6-dianhydroiditol scharakteryzowano przy pomocy rentgenowskiej analizy strukturalnej.
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Stability of free floating ship. Part II
PublicationJest to część II artykułu, którego I część ukazała się w PMR 2/2005. Ramiona prostujące są niejednoznaczne dla statku swobodnego, bowiem zależą od sposobu działania momentu przechylającego. Omówiono dwa przypadki, gdy moment przechylający jest równoległy do płaszczyzny symetrii statku oraz gdy wykonuje najmniejszą pracę, czyli gdy jest równoległy do głównej osi bezwładności wodnicy pływania. Pokazano, że przemieszczenia kątowe...
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Stability of free floating ship. Part I
PublicationSformułowano problem obliczeń ramion prostujących statku swobodnie pływającego, tj. wzdłużnie zrównoważonego przy każdym kącie przechyłu. Ramiona prostujące są niejednoznaczne w takim wypadku, zależą bowiem od sposobu działania momentu przechylającego. Omówiono dwa przypadki, gdy moment przechylający jest równoległy do płaszczyzny symetrii statku, oraz gdy wykonuje najmniejszą pracę, czyli gdy jest równoległy do głównej osi bezwładności...
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On the size of identifying codes in triangle-free graphs
PublicationIn an undirected graph G, a subset C⊆V(G) such that C is a dominating set of G, and each vertex in V(G) is dominated by a distinct subset of vertices from C, is called an identifying code of G. The concept of identifying codes was introduced by Karpovsky, Chakrabarty and Levitin in 1998. For a given identifiable graph G, let gammaID(G) be the minimum cardinality of an identifying code in G. In this paper, we show that for any connected...
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Dynamics of Antimicrobial Peptide Encapsulation in Carbon Nanotubes: The Role of Hydroxylation
PublicationIntroduction: Carbon nanotubes (CNTs) have been widely employed as biomolecule carriers, but there is a need for further functionalization to broaden their therapeutic application in aqueous environments. A few reports have unraveled biomolecule–CNT interactions as a measure of response of the nanocarrier to drug-encapsulation dynamics. Methods: Herein, the dynamics of encapsulation of the antimicrobial peptide HA-FD-13 (accession...
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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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Flexible dye-sensitized solar cells based on Ti/TiO2 nanotubes photoanode and Pt-free and TCO-free counter electrode system
PublicationFlexible dye-sensitized solar cells (DSSCs) are getting more attention compared to standard glass covered DSSCs due to their unique commercial applications (e.g. tents or sail surfaces) and the possibility of rolling up into a small, portable device. In this work, titania nanotubes (TiO2 NT) modified with titania nanoparticles (TiO2 NP) were photoelectrochemically characterized as an anode for flexible dye-sensitized solar cells....
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Free Convection Heat Transfer from Horizontal Cylinders
PublicationThe results of experimental investigation of free convection heat transfer in a rectangular container are presented. The ability of the commonly accepted correlation equations to reproduce present experimental data was tested as well. It was assumed that the examined geometry fulfils the requirement of no-interaction between heated cylinder and bounded surfaces. In order to check this assumption recently published correlation equations...
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Label‐free optical detection of cyclosporine in biological fluids
PublicationIn this paper, a spectroscopic method for determination of cyclosporine concentrations in biological fluids is presented. Blood plasma and hemoglobin solutions are chosen for the experiment. For various cyclosporine concentrations in blood plasma and hemoglobin, absorbance measurements in spectra range from 600 to 1100 nm are performed. The measurement results are analyzed by the use of a dedicated algorithm. The obtained data...
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Anonymous agreed order multicast: performance and free riding
PublicationPrzedstawiono protokół rozgłaszania wiadomości dla sieci lokalnych z usługą 1C, zapewniający całkowite uporządkowanie wiadomości przy zachowaniu anonimowości stacji. Wykorzystywane są raporty zawierające grafy częściowego uporządkowania wiadomości, otrzymywane na podstawie kolejności odbioru i wnioskowania o bezpośrednim następstwie par wiadomości. Wskazano, że kolektywna odpowiedzialność za utrzymanie stałego rytmu raportów sprzyja...
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Free silanols and ionic liquids as their suppressors in liquid chromatography
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A Study of the Roll Motion by Means of a Free Decay Test
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Free Vibrations of Sustainable Laminated Veneer Lumber Slabs
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A Loophole of All ‘Loophole-Free’ Bell-Type Theorems
PublicationBell’s theorem cannot be proved if complementary measurements have to be represented by random variables which cannot be added or multiplied. One such case occurs if their domains are not identical. The case more directly related to the Einstein–Rosen–Podolsky argument occurs if there exists an ‘element of reality’ but nevertheless addition of complementary results is impossible because they are represented by elements from different...
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Free trade with the former COMECON Countries as Unequal Exchange
PublicationTwo authors of this chapter were born to the East of what was once The Iron Curtain and two to the West. From both angles, the two systems – capitalism and communism – seemed to be as contrary to each other as possible. Few people are aware that in terms of industrial and trade policy, both classical capitalism and communism had a common root in the theories of German economist Friedrich List (1789-1846) (List, 1841). In fact,...
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Free randomness amplification using bipartite chain correlations
PublicationA direct analysis of the task of randomness amplification from Santha-Vazirani sources using the violation of the chained Bell inequality is performed in terms of the convex combination of no-signaling boxes required to simulate quantum violation of the inequality. This analysis is used to find the exact threshold value of the initial randomness parameter from which perfect randomness can be extracted in the asymptotic limit of...
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Non-intrusive infrared-free eye tracking method
PublicationIn the paper a technique of eye tracking based on visible light is presented. The approach described does not require an additional hardware equipment used in the infrared eye tracking system. First, examples of existing eye tracking techniques were presented. Then, the proposed algorithm of image processing and the process of determining the eye position are described. The engineered eye tracking application was tested and the...
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Decoherence-free communication over multiaccess quantum channels
PublicationIn this paper we consider decoherence-free communication over multiple access and k-user quantum channels. First, we concentrate on a hermitian unitary noise model U for a two-access bi-unitary channel and show that in this case a decoherence-free code exists if the space of Schmidt matrices of an eigensubspace of U exhibits certain properties of decomposability. Then, we show that our technique is also applicable for generic random unitary...
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Subcritical bifurcation of free elastic shell of biological cluster
PublicationIn this paper we will investigate symmetry-breaking bifurcation of equilibrium forms of biological cluster. A biological cluster is a two-dimensional analogue of a gas balloon. The cluster boundary is connected with its kernel by elastic links. The inside part is filled with compressed gas or fluid. Equilibrium forms of biological cluster can be found as solutions of a certain second order ordinary functional-differential equation...
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Nanoparticle-free tissue-mimicking phantoms with intrinsic scattering
PublicationWe present an alternative to the conventional approach, phantoms without scattering nanoparticles, where scattering is achieved by the material itself: spherical cavities trapped in a silicone matrix. We describe the properties and fabrication of novel optical phantoms based on a silicone elastomer polydimethylsiloxane (PDMS) and glycerol mixture. Optical properties (absorption coefficient µa, reduced scattering coefficient µs',...
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Prediction of consumer electricity needs based on Internet weather forecasts
PublicationElectrical energy is considered both as an important driver for producing and transporting goods in companies, as well as a good in itself which requires planning and management for generating and delivering it to consumers in proper time and amounts. Weather information can be considered to convey part of the data on energy delivery needs of consumers. Free meteorological data sources on the Web do not offer consistent data to...
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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
PublicationTwo 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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Determination of free tyrosine in equestrian supplements by LC–MS/MS and comparison of its quantity with total free amino acids content in view of doping control
PublicationThe reports on the probable beneficial impact of tyrosine (TYR) supplementation on performance enhancement have contributed to the growth of interest in TYR in equestrian sports field and related industries, such as the manufacture of dietary and nutritional supplements. In this study, the first attempt to the assessment of horses exposure to TYR during nutritional supplementation was demonstrated by quantification of unbound TYR...
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Diamond investments – Is the market free from multiple price bubbles?
PublicationThe following study aims to investigate whether multiple price bubbles, in which the quoted market price of diamonds significantly deviates from their fundamental value, exist in the diamond market. It was conducted using ADF, SADF and GSADF tests, with the latter found to be an optimal form of evaluating the analysed issue. The presented results support the conclusion that the diamond market is not free from periods defined as...
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Lefschetz periodic point free self-maps of compact manifolds
PublicationLet f be a self-map of a compact connected manifold M. We characterize Lefschetz periodic point free continuous self-maps of M for several classes of manifolds and generalize the results of Guirao and Llibre [J.L.G. Guirao, J. Llibre, On the Lefschetz periodic point free continuous self-maps on connected compact manifolds,
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Free torsional vibration sensitivity analysis of thin walled beams.
PublicationW pracy przedstawiono analizę wrażliwości swobodnych drgań skrętnych bisymetrycznej , cienkościennej belki o otwartym przekroju poprzecznym, poddanej działaniu siły osiowej
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Study of free convective heat transfer from horizontal conic.
PublicationPrzedstawiono teoretyczne rozważania i badania eksperymentalne konwekcji swobodnej od izotermicznej powierzchni poziomego stożka w przestrzeni nieograniczonej. Rozwiązanie przeprowadzono dla wprowadzonego krzywoliniowego układu współrzędnych, opartego na krzywej linii prądu wokół powierzchni stożkowej.
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Extending loophole-free nonlocal correlations to arbitrarily large distances
PublicationQuantum theory allows spatially separated observers to share nonlocal correlations, which enable them to accomplish classically inconceivable information processing and cryptographic feats. However, the distances over which nonlocal correlations can be realized remain severely limited due to their high fragility to noise and high threshold detection efficiencies. To enable loophole- free nonlocality across large distances, we introduce...
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The interaction of antitumor 1-nitroacridines with DNA in cell-free systems
PublicationUzyskano nowe pochodne 1-nitro i 3-nitroakrydyny wykazujące zdolność do specyficznego cięcia DNA w miejscach bezzasadowych. Z użyciem oligonukleotydu z indukowanym miejscem bezzasadowym potwierdzono taką aktywność u obu otrzymanych pochodnych.
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Mesh-free approach to Helmholtz equation on radial basis functions
PublicationMetoda radialnych funkcji bazowych (RBF) jest coraz czesciej stosowana przy rozwiazywaniu rownan rozniczkowych czastkowych oraz zagadnien wlasnych. W szczegolnosci znalazla ona zastosowanie w problemach elektrodynamiki obliczeniowej. W publikacji zastosowano RBF do rozwiazania rownania Helmholtza. Wprowadzono nowy algorytm - adaptacyjny do wyznaczania centrow interpolacyjnych. Przedstawiona metode zastosowano do wyznaczenia rozkladow...
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Theoretical and numerical analysis of free vibration of liquid-filled tanks
PublicationW pracy rozpatrywano drgania giętne belki o stałym przekroju prostokątnym wypełnionej cieczą idealną. Częstości drgań własnych i formy drgań belki wyznacza się z nieskończonych układów równań algebraicznych (30) i (54). Rozwiązania przedstawiono na wykresach.
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Investigation of matrix-free generation of methyl chloride as a reference material
PublicationW pracy opisano badania nad wykorzystaniem włókien szklanych do otrzymywania bezmatrycowych materiałów odniesienia zawierających chlorek metylu. Chlorek metylu jest uzyskiwany w wyniku termicznego rozkładu związku powierzchniowego. Przedstawiono wyniki badań dla trzech różnych włókien szklanych (o różnej grubości), pokrytych warstwą glinu.
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Lefschetz periodic point free self-maps of compact manifolds
PublicationLet f be a self-map of a compact connected manifold M. We characterize Lefschetz periodic point free continuous self-maps of M for several classes of manifolds and generalize the results of Guirao and Llibre [J.L.G. Guirao, J. Llibre, On the Lefschetz periodic point free continuous self-maps on connected compact manifolds, Topology Appl. 158 (16) (2011) 2165-2169].
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Inhibition of the granular anammox process by the high concentration of free ammonia.
PublicationHigh concentrations of ammonia and nitrite, typical for reject water treatment in the anammox process with the use of high temperatures and pH, may cause free ammonia (FA) inhibition. In this study, the inhibitory effect of FA on anammox process rate was investigated in a bench-scale sequencing batch reactor (SBR) with granular anammox biomass. Results of the study present that the anammox process could be successfully operated...
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Non-destructive inspection of ground anchors using guided wave propagation
PublicationThis paper deals with numerical and experimental investigations of specific problems of guided wave propagation in ground anchors. The research focuses on recognizing the phenomenon of the energy transfer between anchor components. Particular attention is paid to characteristic features of guided waves propagating in free and embedded parts of the tendon, at the interface between the tendon and the surrounding anchor body as well...
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Molecular mechanism and energetics of coupling between substrate binding and product release in the F 1 -ATPase catalytic cycle
PublicationF1-ATPase is a motor protein that couples the rotation of its rotary γ subunit with ATP synthesis or hydrolysis. Single-molecule experiments indicate that nucleotide binding and release events occur almost simultaneously during the synthesis cycle, allowing the energy gain due to spontaneous binding of ADP to one catalytic β subunit to be directly harnessed for driving the release of ATP from another rather than being dissipated...
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Optical fiber aptasensor for label-free bacteria detection in small volumes
PublicationHighly sensitive devices for fast bacteria detection are sought to be developed with the task of quantifying the worldwide problem of pathogenic bacteria and thus helping to take control over spreading bacterial infections. This work concerns a sensing solution based on microcavity in-line Mach-Zehnder interferometer (μIMZI) induced in an optical fiber. Such a device exhibits ultrahigh sensitivity to refractive index changes...
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The Opening of Central and Eastern European Countries to Free Trade: A Critical Assessment
PublicationThree decades after the fall of the Berlin wall and one and a half decades after the Big Bang enlargement of the European Union (2004-2007), we revisit contrasting narratives about the benefit of both free trade and the EU enlargement for Central and Eastern European (CEE) countries. We distinguish old, pre-2004 EU countries from CEE countries that joined the EU in 2004-2007, as well as from the CEE countries that have not become...
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Model-free and Model-based Reinforcement Learning, the Intersection of Learning and Planning
PublicationMy doctoral dissertation is intended as the compound of four publications considering: structure and randomness in planning and reinforcement learning, continuous control with ensemble deep deterministic policy gradients, toddler-inspired active representation learning, and large-scale deep reinforcement learning costs.
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Effect of Temperature and Nanoparticle Concentration on Free Convective Heat Transfer of Nanofluids
PublicationA theoretical analysis of the influence of temperature and nanoparticle concentration on free convection heat transfer from a horizontal tube immersed in an unbounded nanofluid was presented. The Nusselt (Nu) number and heat transfer coefficient were parameters of the intensity of the convective heat transfer. For free convection, the Nu number was a function of the Rayleigh (Ra) number and Prandtl (Pr) number. The Rayleigh (Ra)...
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Research on the phenomena of warming up and free cooling down the car engine
PublicationThe average cold start temperature in Europe is 9 degrees C. However, not the average is the most important for the composition of exhaust gases and associated air pollution. The most onerous for the environment are the winter starts when automotive emissions of harmful gases add up in cities with those of home heating systems. The paper presents preliminary studies of warming up and cooling down processes in various environmental conditions....
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Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
PublicationThe electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U, DFT +HIA, and DFT+ED). The influence of the electron correlations and the spin-orbit coupling on the magnetic properties has been examined. The DFT+U method predicts both atoms to carry local magnetic moments (spin and orbital) contrary to a nonmagnetic...
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Monte-Carlo Modeling of Optical Sensors for Postoperative Free Flap Monitoring
PublicationThis work aims to develop a numerical tissue model and implement software to simulate photon propagation using the Monte Carlo method to determine design guidelines for a physical measurement system. C++ was used for the simulation program, and Python as a programming environment to create an interface that allows the user to customize individual simulation elements, allowing for increased accuracy and flexibility when simulating...
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Production of gaseous matrix-free reference materials. Application of thermoanalytical techniques
PublicationMateriały odniesienia są wykorzystywane w każdym laboratorium w celu zapewnienia jakości wyników pomiarów analitycznych. Produkcja materiałów odniesienia nie jest zadaniem łatwym, szczególnie w przypadku składników gazowych, toksycznych i o nieprzyjemnym zapachu. Termiczny rozkład związków powierzchniowych jest bardzo dogodnym sposobem sporządzania właśnie tego rodzaju mieszanin. Ważną rolę w procesie termicznego rozkładu związków...
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Development of Free Electron Lasers in Europe Local and Global Implications – 2016
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Operation of a free-electron laser from the extreme ultraviolet to the water window
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European X-Ray Free Electron Laser (EXFEL): local implications
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Pedestrian and bicycle bridges as examples of safe collision-free road crossings
PublicationPedestrians are most at risk when they are crossing the road. This represents a significant proportion of all fatalities among pedestrians, amounting respectively to 50% in non-built-up areas and 75% in built-up areas. The most frequent reason for this accident is failure to give way. What is most terrible is that 30% of pedestrian accidents occurred at marked pedestrian crossings. Therefore, an important part of pedestrian safety...
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Usefulness of the Free Length Theory for assessment of the self-association of the pure solvents
PublicationWykonano pomiary szybkości rozchodzenia się dźwięku i gęstości metanolu, acetonitrylu, N,N-dimetyloformamidu, N,N-dimetyloacetamidu, dimetylosulfotlenku i fosforanu trietylu w zakresie temperatur 294 - 333 K . W oparciu o wyznaczone ściśliwości adiabatyczne zastosowano teorię FLT do oceny wzajemnej asocjacji cząsteczek. Uzyskane wyniki przedyskutowano na tle innych sposobów klasyfikacji rozpuszczalników.
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Mesh-free approach to Helmholtz equation based on radial basis functions.
PublicationW artykule zastosowano metodę radialnych funkcji bazowych do rozwiązania równania Helmholthza oraz zaproponowano nowy (adaptacyjny) algorytm wyznaczania centrów interpolacyjnych. W oparciu o prezentowany schemat wyznaczono długości fal odcięcia dla różnych kształtów przekrojów poprzecznych falowodów cylindrycznych.
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A theoretical consideration of a free convective boundary layer on an isothermal horizontal conic.
PublicationPrzedstawiono rozwiązanie analityczne naturalnej konwekcji swobodnej od izotermicznego, poziomego stożka o kącie przy podstawie alfa. Rozwiązanie przeprowadzono w oparciu o typowe dla konwekcji swobodnej założenia upraszczające. Rozwiązania dla przypadków granicznych (poziomy walec i pionowa płyta kołowa) wykazują dobrą zgodność z danymi literaturowymi.
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Topology improvements in scale-free networks when assuring security and survivability
PublicationW artykule zaproponowano heurystyczny algorytm iteracyjny (NEA) kontrolowanego rozrostu sieci, zmniejszający stopień jej bezskalowości. Pokazano, że odpowiednia kontrola rozrostu sieci, prowadzi do uzyskania sieci o topologii zbliżonej do regularnej, a więc w duzym stopniu odpornej na celowe działania niszczące - ataki. Właściwości algorytmu zostały przebadane przy pomocy dedykowanego symulatora dla reprezentatywnej próby inicjalnych...
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Analysis of free‐air anomalies on the seaway of the Gulf of Gdańsk. A case study
PublicationIn this paper, we present an attempt to determine the accuracy of shipborne gravimetry for the needs of geoid determination. The shipborne gravity campaign, described in this article, is the beginning of a series of gravimetry measurements in the Polish Exclusive Economy Zone. The campaign was conducted in the area where the accuracy of geoid determination is crucial for the safety of navigation on numerous intersecting ships routes....
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Monte-Carlo Modeling of Optical Sensors for Postoperative Free Flap Monitoring
PublicationThis work aims to develop a numerical tissue model and implement software to simulate photon propagation using the Monte Carlo method to determine design guidelines for a physical measurement system. C++ was used for the simulation program, and Python as a programming environment to create an interface that allows the user to customize individual simulation elements, allowing for increased accuracy and flexibility when simulating...
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Free vibration analysis of thin-walled frames with use of node superelements
PublicationW pracy proponuje się model ramy cienkościennej zbudowany z prętów cienkościennych i superelementów węzłowych do analizy dragń swobodnych. Dzięki temu modelowi istnieje możliwość uwzględnienia wpływu deformacji węzłów na częstości i postacie drgań własnych. Porównanie wyników analizy numerycznej z rezultatami opatymi na modelu jednowymiarowym, belkowym i modelu podziału ramy na dwuwymiarowe elemnty skończone wskazuje na poprawność...