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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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Rethinking Sustainable Cities at Night: Paradigm Shifts in Urban Design and City Lighting
PublikacjaSince the establishment of the 17 Sustainable Development Goals (SDGs) by the United Nations General Assembly in 2015, various perspectives on sustainable cities have been developed and adopted in order to achieve a better and more sustainable future. However, background research has revealed that these goals and targets are limited because they do not take into account the growing body of lighting-related research in diverse fields...
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Performance Analysis of Machine Learning Methods with Class Imbalance Problem in Android Malware Detection
PublikacjaDue to the exponential rise of mobile technology, a slew of new mobile security concerns has surfaced recently. To address the hazards connected with malware, many approaches have been developed. Signature-based detection is the most widely used approach for detecting Android malware. This approach has the disadvantage of being unable to identify unknown malware. As a result of this issue, machine learning (ML) for detecting malware...
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Long-term operating conditions for different sorption materials to capture phosphate from domestic wastewater
PublikacjaThis paper presents the results of a study on the possibility of applying various configured filters filled with a mixture of Rockfos® and Leca® material for the effective capture of phosphate from domestic wastewater. The tests were carried out for two years at two wastewater flow rates (20 and 40 L/day) in three pairs of filtration columns with a volume of filter material equal to 20 liters each. Columns 1A and 1B were filled...
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Importance of Bile Composition for Diagnosis of Biliary Obstructions
PublikacjaDetermination of the cause of a biliary obstruction is often inconclusive from serum analysis alone without further clinical tests. To this end, serum markers as well as the composition of bile of 74 patients with biliary obstructions were determined to improve the diagnoses. The samples were collected from the patients during an endoscopic retrograde cholangiopancreatography (ERCP). The concentration of eight bile salts, specifically...
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Mitigation effect of face shield to reduce SARS-CoV-2 airborne transmission risk: Preliminary simulations based on computed tomography
PublikacjaWe aimed to develop a model to quantitatively assess the potential effectiveness of face shield (visor) in reducing airborne transmission risk of the novel coronavirus SARS-CoV-2 during the current COVID-19 pandemic using the computational fluid dynamics (CFD) method. The studies with and without face shield in both an infected and healthy person have been considered in indoor environment simulation. In addition to the influence...
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Ionogel fibres of bis(trifluoromethanesulfonyl)imide anion-based ionic liquids for the headspace solid-phase microextraction of chlorinated organic pollutants
PublikacjaIonogels, a family of hybrid materials in which ionic liquids (ILs) are confined in a sol–gel network, are receiving much attention in a variety of scientific and technological fields. In this work, ionogels derived from three different ILs based on the anion bis(trifluoromethanesulfonyl)imide (TFSI), namely 1-butyl- 3-methylpyridinium bis(trifluoromethanesulfonyl)imide ([C4C1Py][TFSI]), 1-butyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide...
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Neurotrophic factors in human milk in early lactation and the effect of Holder and microwave pasteurization on their concentrations
PublikacjaObjective: The objective of this study was to determine the level of brain-derived neurotrophic factor (BDNF) and glial cell line-derived neurotrophic factor (GDNF) in human milk in the first two weeks of breastfeeding and compare of the effects of Holder pasteurization (HoP, 62.5°C, 30 minutes) and microwave pasteurization (MP) at constant temperature (62.5°C) on the concentraion of both neurotrophic factors (NFs). Methods: Concentration...
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Mitigation effect of face shield to reduce SARS-CoV-2 airborne transmission risk: Preliminary simulations based on computed tomography
PublikacjaWe aimed to develop a model to quantitatively assess the potential effectiveness of face shield (visor) in reducing airborne transmission risk of the novel coronavirus SARS-CoV-2 during the current COVID-19 pandemic using the computational fluid dynamics (CFD) method. The studies with and without face shield in both an infected and healthy person have been considered in indoor environment simulation. In addition to the influence...
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The electronic excited states of dichloromethane in the 5.8-10.8 eV energy range investigated by experimental and theoretical methods
PublikacjaWe present a comprehensive experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectrum of dichloromethane, CH 2 Cl 2 , with absolute cross sections determined for the full 5.8–10.8 eV energy-range. The calculations on the vertical excitation energies and oscillator strengths were performed using the equation-of-motion coupled cluster method, restricted to the single and double excitations level (EOM-CCSD), and...
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The effect of high pressure and sub-zero temperature on total antioxidant capacity and the content of vitamin C, fatty acids and secondary products of lipid oxidation in human milk
PublikacjaThe objective of this study was to compare of the effects of high pressure of 193 MPa at - 20°C and Low Temperature Long Time pasteurization (LTLT or holder pasteurization, 62,5°C; 30 min) on the content and composition of fatty acids (FAs), concentrations of secondary products of lipid oxidation (TBARS), the total antioxidant capacity (TAC), total vitamin C and ascorbic acid (AsA) content in human milk. It was shown that no significant...
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Fast, sensitive and reliable multi-residue method for routine determination of 34 pesticides from various chemical groups in water samples by using dispersive liquid – liquid microextraction coupled with gas chromatography – mass spectrometry
PublikacjaA simple and efficient dispersive liquid-liquid microextraction technique (DLLME) was developed by using a mixture of two solvents: 40 μL of tetrachlorethylene (extraction solvent) and 1.0 mL of methanol (disperser solvent), which was rapidly injected with a syringe into 10mL ofwater sample. Some important parameters affecting the extraction efficiency, such as type and volume of solvents, water sample volume, extraction time,...
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Platform governance for sustainable development: Reshaping citizen-administration relationships in the digital age
PublikacjaChanging governance paradigms has been shaping and reshaping the landscape of citizen-administration relationships, from impartial application of rules and regulations by administration to exercise its authority over citizens (bureaucratic paradigm), through provision of public services by administration to fulfil the needs of citizens (consumerist paradigm), to responsibility-sharing between administration and citizens for policy...
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Phototransformation of three selected pharmaceuticals, naproxen, 17α-Ethinylestradiol and tetracycline in water: Identification of photoproducts and transformation pathways
PublikacjaTransformation products (TPs) may be formed during various processes, however, it was proved that one of the main mechanisms responsible for degradation of pharmaceuticals in natural waters is photolysis. Three compounds were selected, tetracycline (TC), 17-α-ethinylestradiol (EE2) and naproxen (NAP), for degradation experiments which were performed using a xenon lamp emitting light with a spectrum closely approximating that of...
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The effects of the IM1-12Br ionic liquid and the oxytetracycline mixture on selected marine and brackish microorganisms
PublikacjaThe number of applications and commercialized processes utilizing ionic liquids has been increasing, and it is anticipated that this trend will persist and even intensify in the future. Ionic liquids possess desirable characteristics, such as low vapor pressure, good water solubility, amphiphilicity, and stability. Nevertheless, these properties can influence their environmental behavior, resulting in resistance to biotic and abiotic...
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Wpływ grubości kryzy cylindrycznej na stabilność współczynnika przepływu przy niskich wartościach liczby Reynoldsa
PublikacjaW pracy przedstawiono wyniki badań eksperymentalnych i numerycznych dla kryzy cylindrycznej o przewężeniu β = 0,5 przy przepływającej wodzie w kanale DN50. Analizie poddano trzy kryzy cylindryczne dla wybranych wartości stosunku długości (grubości) otworu przepływowego do jego średnicy L/d (0,5; 1,0 i 2,0). Eksperymenty przeprowadzono w zakresie zmiany liczb Reynoldsa 1800 < Re < 17000, a symulacje numeryczne dla wybranego punktu...
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Direct determination of paraquat herbicide by square-wave voltammetry by two-step transfer mechanism at heterogeneous boron-doped carbon nanowall electrodes
PublikacjaBoron-doped carbon nanowalls (B:CNW) versus boron-doped diamond (BDD) materials were investigated for the effective electrochemical detection of highly toxic herbicide paraquat (PQ). Depending on the surface morphology and functional groups of BDD and B:CNWs, the electrochemical absorption and detection of the target analyte PQ revealed different detection mechanisms. The surface absorption mechanism was mainly observed for BDD,...
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Organic Supercritical Thermodynamic Cycles with Isothermal Turbine
PublikacjaOrganic Rankine cycles (ORC) are quite popular, but the overall efficiencies of these plants are rather very low. Numerous studies have been conducted in many scientific centers and research centers to improve the efficiency of such cycles. The research concerns both the modification of the cycle and the increase in the parameters of the medium at the inlet to the turbine. However, the efficiency of even these modified cycles rarely...
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Enhancing Renal Tumor Detection: Leveraging Artificial Neural Networks in Computed Tomography Analysis
PublikacjaRenal cell carcinoma is one of the most common cancers in Europe, with a total incidence rate of 18.4 cases per 100 000 population. There is currently significant overdiagnosis (11% to 30.9%) at times of planned surgery based on radiological studies. The purpose of this study was to create an artificial neural network (ANN) solution based on computed tomography (CT) images as an additional tool to improve the differentiation of...
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Recent developnents in wastewater treatment in constructed wetlands in Poland
PublikacjaNowadays more than 100 constructed wetlands are in operation in Poland. Most of them are one stage wetland systems with horizontal subsurface flow. Such constructed wetlands ensure efficient removal of organic matter (BOD5, CODCr) and suspended solids but efficiency of nitrogen compounds removal in many cases is insufficient.In the period from 1995 to 2003 measurements of removal of contaminations in 11 individual pilot household...
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The content of conjugated linoleic acid and vaccenic acid in the breast milk of women from Gdansk and the surrounding district, as well as in, infant formulas and follow-up formulas. Nutritional recommendation for nursing women
PublikacjaFatty acids are some of the most important components of human milk. Polyunsaturated fatty acids (PUFAs) are essential nutrients required for the optimal growth and development of infants, especially the central nervous system, brain and retina. AIM: To determine the conjugated linolenic acid (CLA) and vaccenic acid (VA) content of human breast milk from mothers consuming different diets, and to compare the results with CLA and...
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New 2-[(4-Amino-6-N-substituted-1,3,5-triazin-2-yl)methylthio]-N-(imidazolidin-2-ylidene)-4-chloro-5-methylbenzenesulfonamide Derivatives, Design, Synthesis and Anticancer Evaluation
PublikacjaIn the search for new compounds with antitumor activity, new potential anticancer agents were designed as molecular hybrids containing the structures of a triazine ring and a sulfonamide fragment. Applying the synthesis in solution, a base of new sulfonamide derivatives 20–162 was obtained by the reaction of the corresponding esters 11–19 with appropriate biguanide hydrochlorides. The structures of the compounds were confirmed...
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublikacjaThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...
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New Peptide Based Fluconazole Conjugates with Expanded Molecular Targets
PublikacjaInfections of Candida spp. etiology are frequently treated with azole drugs. Among azoles, the most widely used in the clinical scenario remains fluconazole (FLC). Promising results in treatment of dangerous, systemic Candida infections demonstrate the advantages of combined therapies carried out with combinations of at least two different antifungal agents. Here, we report five conjugates composed of covalently linked FLC and...
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Analiza układów kinematycznych docierania powierzchni płaskich w aspekcie równomierności zużycia tarczy docierającej
PublikacjaPrzedmiotem rozprawy doktorskiej jest analiza układów kinematycznych docierania jednotarczowego w aspekcie równomierności zużycia tarczy docierającej. W pierwszej części pracy szczegółowo opisano mechanizm docierania powierzchni płaskich oraz określono wpływ poszczególnych parametrów procesu na dokładność obróbki. Przeanalizowano dotychczas opracowane modele zużycia docieraka oraz opisano istniejące rozwiązania konstrukcyjne układów...
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More Than just Antioxidants: Redox-Active Components and Mechanisms Shaping Redox Signalling Network
PublikacjasettingsOrder Article Reprints This is an early access version, the complete PDF, HTML, and XML versions will be available soon. Open AccessReview More Than just Antioxidants: Redox-Active Components and Mechanisms Shaping Redox Signalling Network by Monika Kuczyńska,Patrycja Jakubek andAgnieszka Bartoszek *ORCID Faculty of Chemistry, Gdańsk University of Technology, 80-233 Gdańsk, Poland * Author to whom correspondence should...
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Czas inżynierów
PublikacjaKażdego roku budowlane wydziały politechnik krajowych organizują coraz bardziej atrakcyjne wydarzenia, na które składają się seminaria, konferencje naukowe, prezentacje firm, a także wzbudzające najwięcej emocji konkursy konstruktorskie. Nasza Alma Mater szczyci się od wielu lat cyklicznym konkursem „wyKOMBinuj mOst” organizowanym przez Koło Naukowe Mechaniki Budowli KOMBO (Katedra Mechaniki Budowli i Mostów, Wydział Inżynierii...
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Synthesis, characteristics, and photocatalytic activity of zinc oxide nanoparticles stabilized on the stone surface for degradation of metronidazole from aqueous solution
PublikacjaAbstract Background: The presence of antibiotics such as metronidazole in wastewater even at low concentrations requires searching for a suitable process such as advanced oxidation process (AOP) to reduce the level of pollutants to a standard level in water. Methods: In this study, zinc oxide (ZnO) nanoparticles were synthesized by thermal method using zinc sulfate (ZnSO4) as a precursor, then, stabilized on stone and was used...
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Impact of abiotic stressors on nutrient removal and rhizomicrobiome composition in floating treatment wetland with Equisetum hyemale
PublikacjaFloating treatment wetlands (FTW) are receiving growing interest as a phyto-technology. However, there are significant research gaps regarding the actual role of plant species and plant-microbiome interactions. In this study, the nutrient uptake of Equisetum hyemale was examined in FTW microcosms under the influence of abiotic stressors: As (3 mg/L) and Pb (3 mg/L) as well as Cl− (300 and 800 mg/L) in reference to a control during...
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Discrepancies in determination of biogenic amines in beer samples by reversed phase and hydrophilic interaction liquid chromatography coupled with tandem mass spectrometry
PublikacjaBiogenic amines (BAs) are nitrogenous organic bases occurring mainly in fermented food and beverages as a result of free amino acids bacterial decarboxylation. The reversed phase liquid chromatography (RPLC) and hydrophilic interaction liquid chromatography (HILIC) based methods were compared in terms of usefulness for determination of BAs in beer samples. Analysis of BAs with the use of RPLC method were carried out after their...
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Production of fuel briquette from solid waste biomass using natural resin as a binder
PublikacjaBackground: This research aimed to evaluate the use of natural resin as a binder for the production of fuel briquette from solid waste biomass.Methods: Proximate analyses were made for fuel briquette prepared from solid waste biomass using natural resin as a binder in comparison with using starch as a binder.Results: The results for density, percent content of moisture, percent content of volatile matter, percent...
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Fourier transform infrared spectroscopic and theoretical study of water interactions with glycine and its N-methylated derivatives
PublikacjaZbadano hydratację glicyny i jej metylowych pochodnych: N-metyloglicyny (NMG), N,N-dimetyloglicyny (DMG) i N,N,N-trimetyloglicyny (TMG) przy wykorzystaniu spektroskopii FTIR, z zastosowaniem cząsteczki HDO jako sondy molekularnej. Ilościowa wersja metody widm różnicowych pozwoliła na wyizolowanie widma wody zaburzonej przez substancję rozpuszczoną. Wyniki widmowe zostały skonfrontowane z obliczeniami teoretycznymi w ramach teorii...
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Organizmy obecne w osadzie dennym basenów kąpielowych
PublikacjaMonitorowanie parametrów wody basenowej jest istotne z uwagi na zdrowie osób korzystających z basenu jak i pracowników obsługi. Istnieją trzy źródła materii organicznej: woda dostarczona do basenu, pasywne zanieczyszczenia wnoszone przez osoby kąpiące się oraz zanieczyszczenia organiczne w postaci moczu i kału. Jakość wody w basenach powinna być porównywalna do jakości wody pitnej. Jakość mikrobiologiczna opiera się na tradycyjnych...
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Settlement Networks in Polish Spatial Development Regional Plans
PublikacjaIn 1999, ten years after the great political changes in Poland, 16 self-governed regions (in Polish: voivodeship) were created. According to Polish law, voivodeship spatial development plans, or regional plans in short, determine basic elements of the settlement network. No detailed regulations indicate the specific elements of the settlement network or what features of these elements should be determined. For this reason, centres...
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Effect of Overloaded Vehicles on Whole Life Cycle Cost of Flexible Pavements
PublikacjaThe phenomenon of vehicle overloading—illegal exceeding of maximum legal weight of vehicles, is a serious problem both in developing and developed countries around the world. Overloaded vehicles occur less frequently in comparison to properly loaded vehicles but due to their greater potential to cause damage they significantly contribute to distress of pavement structure. As studies show, the number of overloaded vehicles increases...
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Investigation of MIEX® resin sedimentation in the aspect of particle sizes remaining in the supernatant
PublikacjaThe aim of the study was to evaluate the effectiveness of the MIEX® resin sedimentation process, both new and repeatedly used in hybrid water treatment MIEX®DOC + microfiltration (MF) or ultrafiltration (UF) processes (repeatedly regenerated). The tests consisted of performing 1 h sedimentation of the suspension resin in nonflow conditions and analysis of supernatant water at different process durations. The suspension weight analysis...
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New methodology for determination cationic surfactants in liquid environmental samples
PublikacjaBecause of their specific physical and chemical properties (e.g. amphiphilicity, solubility in polar and nonpolar liquids, ability to form micelles, adsorption at phase boundaries, low toxicity) surfactants (surface-active compounds) are widely applied in industry and in the household. As their applications are on a very large scale, it has become necessary to acquire a more detailed understanding of their environmental fate. Mainly,...
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Corrosion Inhibition Mechanism and Efficiency Differentiation of Dihydroxybenzene Isomers Towards Aluminum Alloy 5754 in Alkaline Media
PublikacjaThe selection of efficient corrosion inhibitors requires detailed knowledge regarding the interaction mechanism, which depends on the type and amount of functional groups within the inhibitor molecule. The position of functional groups between different isomers is often overlooked, but is no less important, since factors like steric hinderance may significantly affect the adsorption mechanism. In this study, we have presented how...
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Production of fuel briquette from solid waste biomass using natural resin as a binder
PublikacjaAbstract Background: This research aimed to evaluate the use of natural resin as a binder for the production of fuel briquette from solid waste biomass. Methods: Proximate analyses were made for fuel briquette prepared from solid waste biomass using natural resin as a binder in comparison with using starch as a binder. Results: The results for density, percent content of moisture, percent content of volatile matter, percent content...
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Longitudinal drug synergy assessment using convolutional neural network image-decoding of glioblastoma single-spheroid cultures
PublikacjaAbstract Background In recent years, drug combinations have become increasingly popular to improve therapeutic outcomes in various diseases, including difficult to cure cancers such as the brain cancer glioblastoma. Assessing the interaction between drugs over time is critical for predicting drug combination effectiveness and minimizing the risk of therapy resistance. However, as viability readouts of drug combination experiments...
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The selective salinity and hydrazine parameters for the start-up of non-anammox-specific biomass SBR
PublikacjaThe presence of ammonium (NH 4+ ) in wastewater above the permissible limits leads to undesirable ecological impact and public health concerns. In this study, the anaerobic ammonium oxidizing (anammox) bacteria-mediated nitrogen removal was investigated using a sequential batch reactor (SBR). Effects of different salinity levels were evaluated on the bacterial activity at: mild (below 0.2 g NaCl/L), elevated (18.2 g NaCl/L) and...
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Machine Learning-Based Wetland Vulnerability Assessment in the Sindh Province Ramsar Site Using Remote Sensing Data
PublikacjaWetlands provide vital ecological and socioeconomic services but face escalating pressures worldwide. This study undertakes an integrated spatiotemporal assessment of the multifaceted vulnerabilities shaping Khinjhir Lake, an ecologically significant wetland ecosystem in Pakistan, using advanced geospatial and machine learning techniques. Multi-temporal optical remote sensing data from 2000 to 2020 was analyzed through spectral...
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Temperature-controlled nanomosaics of AuCu bimetallic structure towards smart light management
PublikacjaGold–copper nanostructures are promising in solar-driven processes because of their optical, photocatalytic and photoelectrochemical properties, especially those which result from the synergy between the two metals. Increasing interest in their internal structure, such as the composition or distribution of the Au and Cu as well as the size and shape of the nanoparticles, have developed to define their physicochemical properties. In...
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Flood Modelling and Risk Analysis of Cinan Feizuo Flood Protection Area, Huaihe River Basin
PublikacjaThis study evaluated multiple aspects of flood risks and effects on the Cinan Feizuo flood protection area in the Huaihe River basin. Flooding remains a leading problem for infrastructure, especially in urban, residential areas of the region. Effective flood modeling for urbanized floodplains is challenging, but MIKE (ID-2D) is paramount for analyzing and quantifying the risk in the vulnerable region. The Saint-Venant equation...
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Experimental investigation of thermal energy storage in shell-and-multi-tube unit with nano-enhanced phase change material
PublikacjaThis paper deals with thermal energy storage with use of nanoparticle enhanced phase change material in shell-and-multitube unit. The experiments are conducted under atmospheric pressure. Paraffin wax and two different fatty acids are used as base phase change material. Graphite and multi-walled carbon nanotubes serve as nanoparticles. Graphite nanoparticles are tested at the concentrations of 0.1%, 1% and 5% by weight, while multi-walled...
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Sources, properties and suitability of new thermostable enzymes in food processing
PublikacjaW niniejszym artykule przedstawiono przegląd badań wskazujących na przydatność rekombinantowej alfa-amylazy z Pyrococcus woesei i alfa glukozydazy z Thermus thermohilus do jednoetapowego wytwarzania syropów skrobiowych. Rekombinantowa beta-glikozydaza z Pyrococcus woesei może być natomiast stosowana do produkcji bezlaktozowych produktów z mleka i serwatki. Zachowanie aktywności w szerokim zakre-sie pH od 4,3 do 6,6 oraz duża termostabilność...
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Spurious Modes in Model Order Reduction in Variational Problems in Electromagnetics
PublikacjaIn this work, we address an everlasting issue in 2 model order reduction (MOR) in electromagnetics that has 3 remained unnoticed until now. Contrary to what has been 4 previously done, we identify for the very first time spurious 5 modes in MOR for time-harmonic Maxwell’s equations and 6 propose a methodology to remove their negative influence on the 7 reduced order model (ROM) response. These spurious modes 8 have nonzero resonance...
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Phytoextraction and recovery of rare earth elements using willow (Salix spp.)
PublikacjaSoil and water contaminations are caused by rare earth elements (REEs) due to mining and industrial activities, that threaten the ecosystem and human health. Therefore, phytoremediation methods need to be developed to overcome this problem. To date, little research has been conducted concerning the phytoremediation potential of Salix for REEs. In this study, two Salix species (Salix myrsinifolia and Salix schwerinii) and two Salix...
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Sub-national structures matter when evaluating physical activity promotion: Lessons from Germany
PublikacjaBackground Public policies are increasingly acknowledged as important part of promoting physical activity (PA). However, especially in states with sub-national administrative structures such as Germany, national and sub-national approaches differ considerably. In Germany, sport for all (SfA) promotion is mostly organized at sub-national level, which is usually not covered in national evaluations. Knowledge of these structures helps...
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Usability of mobile applications: a systematic literature study
PublikacjaSince the release of the first mobile devices, the usability of on-board applications has been the concern not only of software vendors but hardware manufacturers as well. The academia community later willingly joined the discussion on usability in terms of theory and empirical measurement, having experience and knowledge in desktop settings. At first sight, such a background should guarantee a solid foundation to conduct research...