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Use of the UNRES force field in template-assisted prediction of protein structures and the refinement of server models: Test with CASP12 targets
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Removal of phenolic inhibitor compounds from hydrolysates and post-fermentation broths by using a Hydrophobic Magnetic Deep Eutectic Solvent
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Solvent Screening for Solubility Enhancement of Theophylline in Neat, Binary and Ternary NADES Solvents: New Measurements and Ensemble Machine Learning
PublikacjaTheophylline, a typical representative of active pharmaceutical ingredients, was selected to study the characteristics of experimental and theoretical solubility measured at 25 °C in a broad range of solvents, including neat, binary mixtures and ternary natural deep eutectics (NADES) prepared with choline chloride, polyols and water. There was a strong synergistic effect of organic solvents mixed with water, and among the experimentally...
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Explicit solvent repulsive scaling replica exchange molecular dynamics ( RS‐REMD ) in molecular modeling of protein‐glycosaminoglycan complexes
PublikacjaGlycosaminoglcyans (GAGs), linear anionic periodic polysaccharides, are crucial for many biologically relevant functions in the extracellular matrix. By interacting with proteins GAGs mediate processes such as cancer development, cell proliferation and the onset of neurodegenerative diseases. Despite this eminent importance of GAGs, they still represent a limited focus for the computational community in comparison to other classes...
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Future opportunities for products derived from black soldier fly (BSF) treatment as animal feed and fertilizer - A systematic review
PublikacjaThe pursuit of novel food products with good nutritional value for both direct and indirect human consumption is crucial. Given the nutritional benefits of insects and the sustainability of this sort of farming, using them as food for farmed animals is a promising alternative. In this regard, the black soldier fly (Hermetia illucens) is most capable of efficiently converting a wide variety of organic materials, from food waste...
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Removal of phenolic inhibitor compounds from hydrolysates and post-fermentation broths by using a Hydrophobic Magnetic Deep Eutectic Solvent
PublikacjaHydroxymethylfurfural (HMF), furfural (FF), hydroquinone (HQ), and vanillin (VAN) are among the main inhibitors generated during most of biomass pre-treatments prior to fermentation processes. They are recognized as toxic to several fermentative microorganisms and therefore cause a decrease in biohydrogen or biofuel production (after hydrolysis). Moreover, if they are released into aqueous solutions (after fermentation), they can...
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Optimization of vortex-assisted supramolecular solvent-based liquid liquid microextraction for the determination of mercury in real water and food samples
PublikacjaA novel method was developed for sample preparation for spectrophotometric determination of Hg(II) in water and food samples. The method was based on vortex-assisted supramolecular solvent-assisted liquid-liquid microextraction (VA-SUPRASs-LLME). Analytical parameters such as pH, chelating agent, solvent type and volume, vortex time and salting out effect were optimized. Surface and normal probability plots were drawn for the variables...
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Real-Time Basic Principles Nuclear Reactor Simulator Based on Client-Server Network Architecture with WebBrowser as User Interface
PublikacjaThe real-time simulator of nuclear reactor basic processes (neutron kinetics, heat generation and its exchange, poisoning and burn- ing up fuel) build in a network environment is presented in this paper. The client-server architecture was introduced, where the server is a pow- erful computing unit and the web browser application is a client for user interface purposes. The challenge was to develop an application running under the...
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A Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for the oxidation of 1-phenylethanol and unusual magnetic properties
PublikacjaMononuclear and polymeric complexes of zinc(II) and copper(II) have been synthesized using two isomers of the hemi-salen ligand with a different mutual orientation of donor atoms. The heterometallic Cu/Zn metallocycle features a catalytic niche filled with the molecule of water and molecules of methanol. This unusual compound exhibits both pronounced catalytic activity in the reaction of oxidation of a secondary alcohol to ketone...
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Organic Acids and Polyphenols Determination in Polish Wines by Ultrasound-Assisted Solvent Extraction of Porous Membrane-Packed Liquid Samples
PublikacjaIn the near future, Poland is going to have more and more favorable conditions for viticulture. Organic acids and polyphenols are among the most commonly analyzed compounds due to their beneficial properties for human health and their importance in the winemaking process. In this work, a new technique involving ultrasound-assisted solvent extraction of porous membrane-packed liquid samples (UASE-PMLS) was for the first time described...
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Solvent Impact on the Diversity of Products in the Reaction of Lithium Diphenylphosphide and a Ti(III) Complex Supported by a tBu2P–P(SiMe3) Ligand
PublikacjaWe present two important trends in the reactivity ofthe titanium complex [MeNacNacTi(Cl){η2-P(SiMe3)-PtBu2}](MeNacNac− = [Ar]NC(Me)CHC(Me)N[Ar]; Ar = 2,6-iPr2Ph)with nucleophilic reagents RLi (R = Ph2P,tBuO, (Me3Si)2N, andtBu2N) depending on the reaction medium. Reaction in nonpolarsolvent (toluene) leads to three main products: via an autoredoxprocess and nucleophilic substitution at the Ti-atom to afford theTi(IV) complex [MeNacNacTi(R){η2-P-PtBu2}]...
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Comparative Study on Assisted Solvent Extraction Techniques for the Extraction of Biologically Active Compounds from Sideritis raeseri and Sideritis scardica
PublikacjaThe plants in the Sideritis genus are postulated to exhibit several important medicinal properties due to their unique chemical composition. To isolate the targeted phytochemical compounds, the selection of a suitable extraction method is of primary importance. In this work, a comparative study on the phytochemical profiles of various Sideritis raeseri and Sideritis scardica extracts has been carried out. An untargeted metabolomics...
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Electrochemical synthesis of 2D copper coordination-polymers: Layer-stacking deviation induced by the solvent and its effect on the adsorptive properties
PublikacjaA 2D Cu-based Metal-Organic Framework (MOF), namely copper-terephthalate (Cu(1,4-BDC)), was successfully synthesized by electrochemical method for effective methylene blue (MB) sorption from aqueous solutions. The composition, morphology, and the presence of functional groups in the obtained material were verified by Fourier Transform Infrared spectroscopy (FTIR), Powder X-Ray Diffraction (PXRD), Thermal (TGA), and Elemental (EA)...
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The studies on the limonene oxidation over the microporous TS-1 catalyst
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Over-Voltage Studies in Inverter Fed Induction Motor Drives
PublikacjaW pracy przedstawiono metodę identyfikacji pojemności pasożytniczych uzwojeń silników asynchronicznych uwzględniającą ich rozłożony charakter. Przedstawiony szerokopasmowy model obwodowy uzwojeń silnika asynchronicznego pozwala na modelowanie zjawisk przepięciowych w silnikach asynchronicznych, w szczególności zasilanych poprzez przekształtniki energoelektroniczne. Zaproponowana metoda analizy umożliwia również określanie składowych...
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WAVE AND CURRENT MODELLING OVER THE BALTIC SEA AND THE GDAŃSK BAY
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THE DARK SIDE OF ARCHITECTURE. THE POWER OVER SPACE AND THE CONTROL OF SOCIETY
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The roadway bridge over Vistula River in Plock - design and construction.
PublikacjaThe paper presents the design and construction works of the Roadway Bridge over Vistula River in Plock (Poland), designed by first two paper authors as being the winners of international competition for design oraganized by Polish association of the bridge engineers. Total length of the bridge is 1,200 m; 615 m is the length of main bridge part over the Vistula riverbed, and 585 m is the length of access bridge part over river...
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On the maximum principle of Bernstein-Schnabl operators over a Bauer simplex
PublikacjaW pracy bada się geometryczne własności sympleksy Bauera i dowodzi się zasady maksimum dla operatorów Bernsteina-Schnabla.
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Redundant Actuation of 3RRR over-actuated Planar Parallel Manipulator
PublikacjaPraca opisuje zagadnienia modelowania i napędzania manipulatorów równoległych. Cechą charakterystyczną manipulatorów równoległych jest występowanie jednego lub kilku łańcuchów kinematycznych zamkniętych (gałęzi równoległych). Standardowo, konstrukcje takie są napędzane jedynie silnikami montowanymi w parach kinematycznych łączących łańcuchy kinematyczne z podstawą. Niekiedy konstrukcje takie są układami napędzanymi nadmiarowo (liczba...
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A simple model for automated negotiations over collaboration agreements in ebXML
PublikacjaPoważnym ograniczeniem w upowszechnianiu standardu ebXML(elektronicznego obiegu dokumentów)jest możliwość występowania konfliktu pomiędzy partnerami transakcji. W artykule zaproponowano prosty mechanizm umożliwiający rozstrzyganie takich konfliktów w drodze automatycznie realizowanych negocjacji, którego wdrożenie pozwoli znacznie rozszerzyć zakres stosowania standardu ebXML.
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Water and chemical properties of hydrometeors over central european mountains
PublikacjaAtmospheric pollutants are transferred to the groundby the contribution of various types of hydrometeors. Because ofthe different techniques of measurement, comparative analysesbetween them are often neglected. Hence, the main goal is tocompare water volume and chemistry of different types ofhydrometeors and their role in both: water balance and pollutantsdeposition. The results of water input and atmospheric depositschemistry...
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Voltage Transients Transfer over Medium Voltage Instrument Transformers
PublikacjaThis paper presents voltage harmonic transfer accuracy problems through voltage transformers which are used in power quality monitoring systems in medium and high voltage grids. A simplified lumped parameters circuit model of the voltage transformer is proposed and verified by simulation and experimental investigations. A number voltage transformers typically used in medium voltage grid has been tested in the conducted disturbances...
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Methane formation over TiO2–based photocatalysts: reaction pathways
PublikacjaThe effects of organic impurities adsorbed or incorporated into semiconductors structure on the photocatalytic products are noteworthy. For this purpose, the as-prepared Ag, Au and Pdmodified TiO2 samples were exposed to UV-vis irradiation in various gas atmospheres (CO2, N2, 600 ppm CO2 in N2, and 13CO2) in order to clarify the route of CH4 formation in the process of photocatalytic CO2 reduction. In the presented research it...
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A tool for integrating Web Site services over User Interface
PublikacjaCompanies and organizations are building information systems by integrating previously independent applications, together with new developments. This integration process has to deal with existing applications, which can only be used through their specific interfaces, and often cannot be modified. Integration of web applications running remotely and controlled by separate organizations becomes even more complicated, as their user...
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Study of Cloud Water Samples Collected over Northern Poland
PublikacjaThe paper gives the results of the first studies on the chemistry of cloud water collected during 3 mo (Aug.–Oct. 2010) in the free atmosphere over the area to the south of the Tri-City (Gdansk-Sopot-Gdynia) conurbation on the Gulf of Gdansk, Poland. Taken from cumulus, stratus, and stratocumulus clouds by means of an aircraft-mounted collector, the water samples were analyzed for the following contaminants: anions (chlorides,...
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Load Tests of the Movable Footbridge Over the Port Canal in Ustka
PublikacjaThe paper presents the acceptance tests carried out on the open footbridge over the port canal in the Port of Ustka. The steel footbridge construction is created by a single pylon to which a movable truss span is suspended with a theoretical span of 52.3 m. The studies about load test of the object included static and dynamic extortion and measurements. In static tests the ballast was of pallets with concrete blocks. Dynamic studies...
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Arch footbridge over Warta river in Wronki - design and construction
PublikacjaThe paper presents the concept of dynamic redesign of lively footbridge. The goal was to reduce probable dynamic excitation and change detailed structural concept. After the complex study the new design was created. In effect completely new static and dynamic properties were reached. Static and dynamic assumptions are explainde. General information, photos and drawings are presented. The final price of the project amounted to 1.25...
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NOx Photooxidation over Different Noble Metals Modified TiO2
PublikacjaWe compared the activity enhancement effect of noble metal deposited on TiO2 in photocatalytic nitrogen oxides oxidation. Titanium dioxide was decorated with Ag, Au, Pt or Pd in the sol-gel process. Synthesized catalysts were characterized by X-ray diffraction (XRD), Brunauer–Emmett–Teller measurement (BET), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM) and energy dispersive X-ray analysis (EDX)....
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Factors influencing decisions to retire – case study of Poland
PublikacjaThe main objective of the article is to present the factors influencing the decisions of the Poles from the older age groups to withdraw from the labour market by retirement, or on the contrary – to remain economically active, also upon reaching the formal retirement age.
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Heart Rate Asymmetry, Its Compensation, and Heart Rate Variability in Healthy Adults during 48-h Holter ECG Recordings
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Application of a novel deep eutectic solvent modified carbon nanotube for pipette-tip micro solid phase extraction of 6-mercaptopurine
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Use of Restraints from Consensus Fragments of Multiple Server Models To Enhance Protein-Structure Prediction Capability of the UNRES Force Field
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Determination of robenidine in animal feeds by liquid chromatography coupled with diode-array detection and mass spectrometry after accelerated solvent extraction
PublikacjaRobenidyna (chlorowodorek 1,3-bis[(4-chlorobenzylideno)amino]guanidyny) jest stosowana w celu zapobiegania i leczenia kokcydiozy - pasożytniczej choroby układu pokarmowego wielu zwierząt hodowlanych (kozy, owce, króliki, drób) wywoływanej przez pierwotniaki należące do rzędu Eimeria tenella, E. Necatrix, E. Acervulina, E. Maxima, E. Brunetti, and E. Mivati. Robenidyna wykazuje stosunkowo wysoką skuteczność terapeutyczną, przy niewielkiej...
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Solvation of cobalt(II) and trifluoromethanesulfonate ions in N,N-dimethylformamide-methanol mixed solvent studied by means of FT-IR spectroscopy
PublikacjaWidma FT-IR roztworów Co(CF3SO3)2-N,N-dimetyloformamid-metanol były analizowane w zakresie pasm CO i OH za pomocą metody widm różnicowych. Wyznaczono liczbę cząsteczek DMF i MeOH w pierwszej sferze solwatacji jonu Co(II) w zależności od składu rozpuszczalnika. Stwierdzono także obecność drugiej sfery solwatacji jonu Co(II) i scharakteryzowano ją ilościowo. Zbadano również solwatację jonu tifluorometanosulfonowego oraz asocjację...
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Ultrasound-Assisted Solvent Extraction of a Porous Membrane Packed Sample for the Determination of Tobacco-Specific Nitrosamines in the Replacement Liquids for E-Cigarettes
PublikacjaThe content of tobacco-specific nitrosamines (TSNAs) possessing carcinogenic properties has been an important area of research since replacement liquids were introduced for e-cigarettes. A method for determining N′-nitrosonornicotine (NNN), 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), N′-nitrosoanatabine (NAT), and N′-nitrosoanabasine (NAB) in replacement liquids for electronic cigarettes was developed using liquid chromatography–tandem...
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Quality control of cheese samples for the presence of natamycin preservative – A natural deep eutectic solvent (NADES) based extraction coupled with HPLC
PublikacjaA new protocol for the determination of natamycin – an antifungal agent used as a food preservative - in cheese samples – is described. This new method is based on a natural deep eutectic solvent (NADES) green extraction procedure. High-performance liquid chromatography (HPLC) was used for detection and quantification. NADESs with different molar ratios were evaluated for efficient and selective extraction. NADES made of thymol...
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Polychlorinated biphenyls (PCBs) and polychlorodibenzo-p-dioxins (PCDDs) determination in disposable baby diapers with the application of natural deep eutectic solvent
PublikacjaIn this work a new method involving solvent extraction of porous membrane-packed solid samples (SE-PMSS) coupled to gas chromatography-mass spectrometry (GC–MS) has been developed for the determination of six polychlorinated biphenyls (PCBs) and five polychlorodibenzo-p-dioxines (PCDDs) in disposable baby diapers. In that aim, a terpenoid-based natural deep eutectic solvent (NADES) composed of carvone and camphor in a 1:1 M ratio...
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First deep eutectic solvent-based (DES) stationary phase for gas chromatography and future perspectives for DES application in separation techniques
PublikacjaThe paper presents the first application of deep eutectic solvents (DES) as stationary phases for gas chromatography. DES obtained by mixing tetrabutylammonium chloride (TBAC) as a hydrogen bond acceptor (HBA) with heptadecanoic acid being a hydrogen bond donor (HBD) in a mole ratio of HBA:HBD equal to 1:2 was characterized by its ability to separate volatile organic compounds (VOCs). The Rohrschneider – McReynolds constants determined...
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Mesoporous carbon/graphitic carbon nitride spheres for photocatalytic H2 evolution under solar light irradiation
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Dyes based on the D/A-acetylene linker-phenothiazine system for developing efficient dye-sensitized solar cells
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Met and unmet care needs of older people with dementia living at home: Personal and informal carers’ perspectives
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Changes in the Thickness of Ice Cover on Water Bodies Subject to Human Pressure (Silesian Upland, Southern Poland)
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Chemical treatment of crystalline silicon solar cells as a method of recovering pure silicon from photovoltaic modules
PublikacjaProducenci modułów PV stosują ogniwa krzemowe, wyprodukowane w różnej technologii, w efekcie czego różnią się one między sobą. Różnorodność dotyczy zarówno modułów PV, wykonanych z ogniw polikrystalicznych jak i monokrystalicznych. Różnice widoczne są zwłaszcza dla kontaktów elektrycznych. Producenci ogniw wykonują metalizację z zastosowaniem past Al, Ag lub przy jednoczesnym użyciu Al/Ag. Proces recyklingu krzemowych ogniw PV...
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Crystalline Silicon (c-Si)-Based Tunnel Oxide Passivated Contact (TOPCon) Solar Cells: A Review
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The Economic Dimension of Using the Integration of Highway Sound Screens with Solar Panels in the Process of Generating Green Energy
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Outcomes of sleeve gastrectomy in patients older than 60 years: a multicenter matched case-control study
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Analysis of the image force effects on the recombination at the donor-acceptor interface in organic bulk heterojunction solar cells
PublikacjaWe consider the influence of image force effects on the recombination at the donor-acceptor interface in organic bulk heterojunction solar cells. The conclusion is that the charge carriers of one sign located in the material with lower permittivity recombine at the boundary between donor and acceptor phases. This process competes with the recombination of opposite sign charge carriers, leading to the reduction of the Langevin-type...
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NEW SOLUTIONS FOR THE SOLAR CHARGE CONTROLLERS DESIGN FOR OBTAINING TRUE MPP IN PARTLY SHADED PV MODULES
PublikacjaSoft shading sources such as tree limbs, structural elements of buildings and chimneys, scatter and refract sunlight, significantly reducing the amount of radiation reaching the surface of the module. The hard shadings located directly on the surface (i.e. bird droppings, leaves, snow) tend to stop sunlight completely. These phenomena significantly affects the output characteristics of photovoltaic modules and often contribute...
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Benzene-induced hydro(solvo)thermal synthesis of Cu2+ and Zn2+ coordination polymers based on 1,3-benzenedicarboxylate
PublikacjaHydro(solvo)thermal reactions of Cu(NO3)2·2.5H2O or Zn(NO3)2·6H2O with 1,3-H2bdc provided two structurally different coordination polymers; a 2D network “metallacalixarene” based on the paddlewheel-type cluster with the formula [Cu(1,3-bdc)·H2O]·H2O (1) and a 3D framework [Zn(1,3-bdc)] (2), respectively. The use of a base was unnecessary in this synthesis; however, the presence of benzene played a crucial role in the crystallization...