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Search results for: empirical potentials
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The Potential of Improving Air Quality by Urban Mobility Management: Policy Guidelines and a Case Study
PublicationThere is a growing recognition among planners and policy makers that proper transformation of urban mobility systems is crucial to the reduction of air pollution emission. The main objective of the work was to review the current urban mobility strategies in the city of Gdańsk, Poland in terms of their potential for the improvement of urban air quality. Firstly, general policy guidelines for mobility systems were formulated based...
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Superconductivity of Ta-Hf and Ta-Zr alloys: Potential alloys for use in superconducting devices
PublicationThe electronic properties relevant to superconductivity are reported for bulk Ta-Hf and Ta-Zr body centered cubic alloys, in a large part to determine whether their properties are suitable for potential use in superconducting qbits. The body centered cubic unit cell sizes increase with increasing alloying. The results of magnetic susceptibility, electrical resistivity, and heat capacity characterization are reported. While elemental...
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Indole-Acrylonitrile Derivatives as Potential Antitumor and Antimicrobial Agents—Synthesis, In Vitro and In Silico Studies
PublicationA series of 2-(1H-indol-2-yl)-3-acrylonitrile derivatives, 2a–x, 3, 4a–b, 5a–d, 6a–b, and 7, were synthesized as potential antitumor and antimicrobial agents. The structures of the prepared compounds were evaluated based on elemental analysis, IR, 1H- and 13NMR, as well as MS spectra. X-ray crystal analysis of the representative 2-(1H-indol-2-yl)-3-acrylonitrile 2l showed that the acrylonitrile double bond was Z-configured. All...
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The impact of environmental water on the potential application of core−shell titania−silica nanospheres as photocatalysts
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Possible schemes of photoassociation processes in the KLi molecule with newly calculated potential energy curves
PublicationWe present four promising schemes for photoassociative formation of KLi molecule in its ground electronic state. Analysis is based on newly calculated adiabatic potentials supported by transition dipole moments and Franck-Condon factors.
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Interatomic potential suitable for the modeling of penta-graphene: Molecular statics/molecular dynamics studies
PublicationWe test the potentials available for elemental carbon, with the scope to choose the potential suitable for the modeling of penta-graphene, the latest two dimensional carbon allotrope. By using molecular statics and molecular dynamics simulations we show that there is only one potential e namely the Tersoff-type potential proposed by Erhart and Albe in 2005 e which is able to correctly describe all the important features of penta-graphene....
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Assessing Acute Toxicity and Endocrine Disruption Potential of Selected Packages Internal Layers Extracts
PublicationThe focus of the present study is migration of toxic substances from food contact materials and its actual influence on the health of the final consumer. Two food packagings (metal cans, TetraPack®) and five simulants medias (water, ethanol, acetic acid, DMSO, artificial saliva) were selected for simulation studies. For assessment of acute toxicity and endocrine disruption potential of extract samples, two biotests (Microtox® and...
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Elementary analysis and energetic potential of the municipal sewage sludges from the Gdańsk and Kościerzyna WWTPs
PublicationThis paper aims to present municipal sewage sludge (MSS) elementary analysis and energetic potential based on measurement of heat of combustion (higher heating value HHV) and calculation of calorific values (lower heating value LHV). The analysis takes into the consideration water content in sewage sludge, at different utilization stages, in wastewater treatment plants in Gdańsk Wschód and Kościerzyna – Pomeranian Voivodeship....
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Methodology for implementing power plant efficiency standards for power generation: potential emission reduction
PublicationSome methods of generating power such as power generation through coal, natural gas, oil result in inevitable emissions of greenhouse gases. While power generation is necessary due to its increasing demand, it is important for power companies to generate their power in an efcient manner to reduce its efect on the environment. One of the most efective ways of tackling inefciency issues is through the implementation of efciency standard....
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High-temperature heat pumps – potential technology for heat recovery and production of process heat
PublicationIn the paper, the high temperature vapour compressor based heat pump with a selection of working fluids, both perspective and ecological ones, is considered. Such system is not yet commercially available on the market and in author’s opinion it has significant potential for various applications. In the presented analysis it was assumed that the heat source has a temperature of 50oC and the temperature lift is 60, 80 and 100K respectively....
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Task Scheduling – Review of Algorithms and Analysis of Potential Use in a Biological Wastewater Treatment Plant
PublicationThe idea of task scheduling is to increase the efficiency of a system by minimising wasted time, evenly loading machines, or maximising the throughput of machines. Moreover, the use of appropriate scheduling algorithms often leads to a reduction in the energy costs of the process. Task scheduling problems are found in a variety of industrial areas, and their scale changes significantly depending on the problem. This review shows...
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Born–Oppenheimer potential energy curves of NaK from the optimised atomic basis sets
PublicationThe article presents adiabatic potential energy curves of the ground and excited electronic states for the diatomic NaK molecule. The calculations were made using the ab initio computational methods to include electron correlation. The studied molecule was calculated as the effective two-electron problem, in which only the valence electrons of the molecule are explicitly taken into account. The remaining electrons with atomic nuclei...
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Review of cigars and cigar-type products as potential sources of consumer exposure to heavy metals
PublicationThe popularity of cigars, growing since 1993, has not gone hand in hand with the increased interest of researchers in these products. Although the literature widely describes the harmfulness of tobacco and the content of toxic substances in tobacco products, the topic is often treated selectively as relating primarily to cigarettes and rarely extends to other products of the broadly defined tobacco industry. However, there is no...
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Triazoloacridone C-1305 impairs XBP1 splicing by acting as a potential IRE1α endoribonuclease inhibitor
PublicationInositol requiring enzyme 1 alpha (IRE1α) is one of three signaling sensors in the unfolding protein response (UPR) that alleviates endoplasmic reticulum (ER) stress in cells and functions to promote cell survival. During conditions of irrevocable stress, proapoptotic gene expression is induced to promote cell death. One of the three signaling stressors, IRE1α is an serine/threonine-protein kinase/endoribonuclease (RNase) that...
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Insights into the Thermo-Mechanical Treatment of Brewers’ Spent Grain as a Potential Filler for Polymer Composites
PublicationThis paper investigated the impact of twin-screw extrusion parameters on the properties of brewers’ spent grain. The chemical structure, antioxidant activity, particle size, and color properties, as well as the emission of volatile organic compounds during extrusion, were investigated. The main compounds detected in the air during modifications were terpenes and terpenoids, such as α-pinene, camphene, 3-carene, limonene, or terpinene....
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Assessment of the ice jam potential on regulated rivers and reservoirs with the use of numerical model results
PublicationThis study presents an attempt at estimating the jam potential on rivers with significant anthropogenic intervention in the course or flow characteristics of the river. The DynaRiCE model was used for forecasting both the place and time of an ice jam occurrence. In this modified method, two ice parameters are subjected to analysis, namely the relative ice-to-water velocity (vi/vw),and the ice thickness to single floe thickness...
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What Potential Entrepreneurs from Generation Y and Z Lack-IEO and the Role of EE
PublicationThis paper addresses the issue of individual entrepreneurship orientation (IEO) and entrepreneurship education (EE), which are both important for modern economic development. Intergenerational differences in these areas were discussed, especially characteristics of Generations Y and Z. The results of research conducted among 757 Polish students showing their IEO are presented. 80% of respondents displayed high levels of proactivity...
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Development of potential candidate reference materials for drugs in bottom sediment, cod and herring tissues
PublicationRegular use of a reference material and participation in a proficiency testing program can improve the reliability of analytical data. This paper presents the preparation of candidate reference materials for the drugs metoprolol, propranolol, carbamazepine, naproxen, and acenocoumarol in freshwater bottom sediment and cod and herring tissues. These reference materials are not available commercially. Drugs (between 7 ng/g and 32...
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he Potential of German Administrative Models for the Resolution of Public-Private Partnership Barriers in Poland
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Municipality’s financial potencial and policy of flood risk management in Poland
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Development of HPTLC method for quantification of flavonoids in extracts of the selected Potentilla species
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Screening of antimicrobial activity of aqueous extracts of selected Potentilla L. species
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The influence of extracts from Potentilla species on normal human colon cells
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Evaluation of a neurotherapy program for a child with ADHD with Benign Partial Epilepsy with Rolandic Spikes (BPERS) using event-related potentials
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Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions
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Visual and brainstem auditory evoked potentials in HCV-infected patients before and after interferon-free therapy — A pilot study
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A Three-Step Approach to Estimation of Reduction Potentials of Natural Mixtures of Antioxidants Based on DPPH Test; Illustration for Catechins and Cocoa
PublicationThe aim of this study is to propose a methodology to assess electrochemical properties of complex mixtures of antioxidants, such as plant extracts, based on the results of simple and popular DPPH test. The first, most difficult step, involves determinations of standard reduction potentials (E0) for the series of purified compounds (here catechins). The next step is the calculation of stoichiometric values (n10) based on the results...
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THEORETICAL POTENTIAL OF HYDROGEN PRODUCTION FROM TEXTILES WASTES IN POMERANIAN REGION BY MEANS OF DARK FERMENTATION
PublicationModel has been developed for calculating theoretical mass of hydrogen produced from textile wastes by mean of dark fermentation. As vegetable fibres wastes were chosen two mostly used — cotton and linen (flax). As the synthethic carbohydrate rich fiber was chosen viscose. In the background there were introduced: problems of dark fermentation, characteristics of textile material structure. Additionally pathways of the process...
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Zirconia-based mixed potential sensor with Pt electrode prepared by spin-coating of polymeric precursor
PublicationMany types of yttria-stabilized zirconia (YSZ) based gas sensors have been explored extensively in recent years. Great attention have been directed to mixed-potential-type gas sensors. It is due to growing concerns with environmental issues. Not without a significance is the fact of very attractive performance of this type of sensor allowing to detect low concentration of pollutant gases. In this paper two types of YSZ based mixed-potential...
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Elementary analysis and energetic potential of the sludge from the Gdynia Dębogórze and Lębork wastewater treatment plants
PublicationThe paper aims to show the results of the elementary analysis of the sewage sludges from wastewater treatment plants in Gdynia Dębogórze and Lębork as well as measurements of the heat of combustion and the calculated calorific values according to regulation PN-93/Z-15008, taking into account water content and the composition of sewage sludge at different utilisation stages. The results presented in this paper are based on the analysis...
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Oil spill response planning tool for estimating the recovery capability of mechanical skimming systems potential
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Potential of bacteriocins from lab to improve microbial quality of dry-cured and fermented meat products
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Molecular modeling and evaluation of novel dibenzopyrrole derivatives as telomerase inhibitors and potential drug for cancer therapy
PublicationDuring previous years, many studies on synthesis, as well as on anti-tumor, anti-inflammatory and anti-bacterial activities of the pyrazole derivatives have been described. Certain pyrazole derivatives exhibit important pharmacological activities and have proved to be useful template in drug research. Considering importance of pyrazole template, in current work the series of novel inhibitors were designed by replacing central...
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Changes in zeta potential of imidazolium ionic liquids modified minerals - Implications for determining mechanism of adsorption
PublicationW celu wyjaśnienia mechanizmu adsorpcji imidazoliowych cieczy jonowych na glebach zbadane zostałych oddziaływania szeregu homologów imidazoliowych z frakcją mineralną gleb. Wyznaczono izotermy sorpcji, współczynniki podziału oraz zmiany potencjałów zeta kwarcu i kaolinitu wywołane adsorpcją imidazoliowych cieczy jonowych o zwiększającej się długości łańcucha alkilowego. Potencjał zeta okazał się zależny od długości łańcucha dla...
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Potential of silicon carbide MOSFETs in the DC/DC converters for future HVDC offshore wind farms
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Ab Initio Analysis of a Quantum Dot Induced by a Local External Potential in a Semiconducting Carbon Nanotube
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UGT1A1gene polymorphism as a potential factor inducing iron overload in the pathogenesis of type 1 hereditary hemochromatosis
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Urinary 5-hydroxymethyluracil and 8-oxo-7,8-dihydroguanine as potential biomarkers in patients with colorectal cancer
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Establishment, Growth, and Yield Potential of the Perennial Grass Miscanthus × Giganteus on Degraded Coal Mine Soils
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Potential Alternative to Styrene–Butadiene–Styrene for Asphalt Modification Using Recycled Rubber–Plastic Blends
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Towards Temperature Dependent Coarse-grained Potential of Side-chain Interactions for Protein Folding Simulations
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Bioindicative potential of shell abnormalities occurring in the clam Macoma balthica (L.) from the Baltic Sea
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Synthesis and biological activity of ester derivatives of mycophenolic acid and acridines/acridones as potential immunosuppressive agents
PublicationImproved derivatives of mycophenolic acid (MPA) are necessary to reduce the frequency of adverse effects, this drug exerts in treated patients. In this study, MPA was coupled with N-(x-hydroxyalkyl)-9-acridone-4-carboxamides or N-(x-hydroxyalkyl)acridine-4-carboxamides to give respective ester conjugates upon Yamaguchi protocol. This esterification required protection of phenol group in MPA. Designed conjugates revealed higher...
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Novel and effective synthesis protocol of AgNPs functionalized using L-cysteine as a potential drug carrier
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Industrial Heritage in sacrifice zones, The potential of Bocamina I & II Thermoelectric in Coronel, Chile
PublicationThis work aims to present the recovery potential of the Chilean Sacrifice Zones, urban areas affected by high amounts of pollution caused by industrial activities. It centers in the case of “Bocamina I & II”, two Thermoelectric based in the city of Coronel, southern Chile. A settlement historically related to the mining processes. These plants operated for decades supplying the national energy...
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Zeta potential and effective diameter of n-tetradecane emulsions in n-propanol solutions and in the presence of lysozyme
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Apolipoprotein E ( ApoE ) polymorphism is related to differences in potential fertility in women: a case of antagonistic pleiotropy?
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Double layer adhesive silicone dressing as a potential dermal drug delivery film in scar treatment
PublicationThe present studies focused on the evaluation of design of an adhesive silicone film intended for scar treatment. Developed silicone double layer film was examined in terms of its future relevance to therapy and applicability on the human skin considering properties which included in vitro permeability of water vapor and oxygen. In order to adapt the patches for medical use in the future there were tested such properties as...
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Investigating the potential of CuSCN as hole transport layer for perovskite solar cells for applications in indoor photovoltaics
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Application of gas chromatographic data and 2D molecular descriptors for accurate global mobility potential prediction
PublicationMobility is a key feature affecting the environmental fate, which is of particular importance in the case of persistent organic pollutants (POPs) and emerging pollutants (EPs). In this study, the global mobility classification artificial neural networks-based models employing GC retention times (RT) and 2D molecular descriptors were constructed and validated. The high usability of RT was confirmed based on the feature selection...