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Search results for: EMPIRICAL POTENTIALS
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Polysaccharide films modified by compounds of natural origin and silver having potential medical applications
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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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Temperature and potential-dependent structural changes in Pt cathode electrocatalyst viewed by in situ XAFS
PublicationW pracy przedstawiono wyniki badań widm absorpcji promieniowania rentgenowskiego nano-platyny używanej jako katalizator w katodach polimerowych ogniw paliwowych (PEM FC). Badania XAFS realizowane były w warunkach pracy ogniwa paliwowego. Wysokiej jakości widma, uzyskane za pomocą specjalnie przygotowanej do pomiarów XAFS in situ komórki FC, umożliwiły przeprowadzenie zaawansowanej analizy obrazującej zmiany w lokalnej strukturze...
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Cameras, microphones, and data storage in current monitoring systems.Technology trends, problems and potential solutions
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From polymer waste to potential main industrial products: Actual state of recycling and recovering
Publicationlastics have become widely used materials in everyday life due to their special properties such as durability, easy processing, light-weight and low-cost of production. However, because of their stable and non-biodegradable nature, postconsumer plastics become an issue to the environment. The growing amounts of waste are generated, as plastic products are commonly used only once before disposal. The alternatives of practical techniques...
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Assessment of toxic and endocrine potential of substances migrating from selected toys and baby products
PublicationAnalysis of literature data shows that there is limited information about the harmful biological effects of mixture of compounds from the EDC group that are released from the surface of toys and objects intended for children and infants. One of the tools that can be used to obtain such information is appropriate bioanalytical tests. The aim of this research involved determining whether tests that use living organisms as an active...
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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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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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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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Nanomechanical Properties of Metallic fcc Nanorods from Molecular Simulations with the Sutton-Chen Potential
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Synthesis of phosphono and phosphate derivatives of hydroxyimino-D-alditols as new potential antifungal agents
PublicationIn search for new effective we antyfungals we focus on two enzymes involved in biosynthesis of the fungal cell wall. The first enzyme is glucosamine-6-phosphate (GlmS), which catalyzes transformation of D-fructose-6-phosphate (Fru-6P) to D-glucosamine-6-phodphate (GlcN-6P) in the chitin biosynthesis pathway. The second enzyme is phosphomannose isomerase (PMI) repored to play a crucial role in biosynthesis of many mannosylated structures,...
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BIODIVERSITY OF YEASTS ISOLATED FROM CAVES OF THE POLISH TATRA MOUNTAINS, AND ITS BIOTECHNOLOGICAL POTENTIAL
PublicationMost of the Earth’s biosphere is permanently or periodically exposed to temperatures below 5°C. Cold habitats harbor a wide diversity of psychrophiles. For many years Antarctica has been the geographic area preferred for studying the diversity and properties of cold-adapted microorganisms. However, the non-Antarctic habitats like Himalayas or Alps are also extensively explored. The Tatra Mountains are Europe’s second-highest massif...
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The potential of historical railway infrastructure, possibilities of its adaptation on the examples of railway water towers
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Microwave assisted liquefaction with crude glycerol as a potential method of brewer's spent grain utylization
PublicationBrewer's spent grain was applied as a low-cost industrial type of lignocellulose biomass in a liquefaction and solvent: biomass ratio on the efficiency of the process, chemical structure and basic properties of obtained prepared polyols and soil residues shed light on the biomass degradation mechanism through application of microwaves and further reaction of degradation products with solvent particles.
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Synthesis of conjugates of muramyl dipeptide and nor-muramyl dipeptide derivatives with adenosine as potential immunosuppressant
PublicationZaprezentowano syntezę koniugatów adenozyny z pochodnymi muramylo- i nor-muramylodipeptydów zawierających w części peptydowej D-aminokwasy (D-Ala, D-Val, D-Ser, D-Pro, D-2-ABA). Jako substrat zastosowano rybozyd 6-chloropuryny, który łączono poprzez 1,2-diaminoetan z odpowiednimi pochodnymi MDP lub nor-MDP w obecności EDCI i HOBt. Struktury otrzymanych związków zostały potwierdzone widmami 1H i 13C NMR (500 MHz), widmami MS oraz...
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Synthesis of conjugates of muramyl dipeptide and nor-muramyl dipeptide derivatives with adenosine as potential immunosuppressants
PublicationPrzedstawiono syntezę koniugatów pochodnych muramylodipeptydu (MDP) i nor-MDP z adenozyną jako potencjalnych związków o działaniu immunosupresyjnym. Jako substrat zastosowano rybozyd 6-chloropuryny, który łączonp poprzez 1,2-diaminoetan z pochodną MDP lub nor-MDP. Do syntezy wykorzystano pochodne MDP zawierające w części peptydowej D-aminokwasy (D-Ala, D-Val, D-Ser, D-Pro, D-2-ABA). Jako odczynniki sprzęgające zastosowano EDCI...
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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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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 Action Mechanisms, Anti-Cancer and Antibiotic-Modulation Potential of Vaccinium myrtillus L. Extract
PublicationHerbal medicinal products containing Vaccinium myrtillus L. (bilberry) fruits and fruit extracts are widely available in the market. Although bilberry leaves and stems are considered as bio-waste, they contain much higher levels of phenolic compounds than fruits. The study aimed to investigate the antimicrobial and anticancer potential of aerial part extracts from Vaccinium myrtillus L. (V. myrtillus, VM) plants harvested at high...
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Bovine Serum Albumin – Hydroxyapatite Nanoflowers as Potential Local Drug Delivery System of Ciprofloxacin
PublicationIntroduction: Hybrid nanoflowers are structures consisting of organic (enzymes, proteins, nucleic acids) and inorganic components (mostly metal phosphates) with a flower-like hierarchical structure. Novel hybrid nanoflowers based on bovine serum albumin (BSA) and hydroxyapatite (HA) were obtained and characterized. Study on BSA-HA nanoflowers as potential drug delivery system is reported for the first time. Methods: Embedding ciprofloxacin...
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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 grid and are seen as both symbols...
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Theoretical study of highly-excited states of KRb molecule
PublicationSemi-empirical adiabatic potential energy curves of highly excited states of the KRb molecule are calculated as a function of the internuclear distance R over a wide range from 3 to 150 a0. The diatomic molecule is treated as an effective two-electron system by using the large core pseudopotentials and core polarization potentials. All calculations are performed by using the nonrelativistic CASSCF/MRCI method with accurate basis...
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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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More than just a beer—the potential applications of by-products from beer manufacturing in polymer technology
PublicationBeer is the most popular alcoholic beverage in the world, and its popularity is continuously growing. Currently, global beer production is estimated at around 2 billion hectoliters. Nevertheless, the increasing production capacity implicates the rising issue of generated by-products—brewers’ spent grain, spent hops, spent yeast, and wastewater. They are generated in massive amounts, so having in mind the current pro-ecological...
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Low-Coherence Interferometer with Nanocrystalline Diamond Films with Potential Application to Measure Small Biological Samples
PublicationThe study investigates a case of a low-coherence fiber-optic Fabry–Prerot interferometer with a nanocrystalline diamond (NCD) mirror. The method of achieving double density of interference fringes is proposed by the application of birefringent material in the cavity of the interferometer. It can be used to reduce sample volume in comparison to conventional interferometers. The use of a biocompatible diamond mirror makes it specifically...
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Muramyl dipeptide-based analogs as potential anticancer compounds: Strategies to improve selectivity, biocompatibility, and efficiency
PublicationAccording to the WHO, cancer is the second leading cause of death in the world. This is an important global problem and a major challenge for researchers who have been trying to find an effective anticancer therapy. A large number of newly discovered compounds do not exert selective cytotoxic activity against tumorigenic cells and have too many side effects. Therefore, research on muramyl dipeptide (MDP) analogs has attracted interest...
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Can bottom sediments be a prospective fertilizing material? A chemical composition analysis for potential reuse in agriculture.
PublicationEvery year huge amounts of bottom sediments are extracted worldwide, which need to be dis-posed. The recycling of bottom sediments for soil fertilization is in line with the long-promoted circular economy policy and enables the use of micro and macronutrients accumulated in sedi-ments for soil fertilization. When considering potential agricultural reuse of the dredge sediments, the first necessary step should be to analyze whether...
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Potential and strain rate impact on the electrochemical properties of 304L stainless steel under tensile stresses.
PublicationPraca skupia się na badaniach aspektu elektrochemicznego i mechanicznego pękania warstwy pasywnej obecnej na stali 304L. Przedstawione zostały wyniki chwilowych zmian impedancji oraz zmiany parametrów elektrochemicznych warstwy pasywnej podczas testów rozciągania przy różnych poziomach polaryzacji anodowej oraz szybkości rozciągania. Na ich podstawie można stwierdzić, że zarówno czynnik elektrochemiczny, jak i mechaniczny wpływają...
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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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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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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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A comprehensive evaluation of flexible FDM/FFF 3D printing filament as a potential material in medical application
PublicationThe use of FDM/FFF in 3D printing for medical sciences is becoming common. This is due to the high availability and decent price of both 3D printers and filaments useful for FDM/FFF. Currently, researchers' attention is focused mainly on the study of medical filaments based on PLA, PCL or their modifications. This contributes to insufficient diversity of medical-grade filaments on the market. Moreover, due to the lack of specified...
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Harmonic analysis of the current of an electric system simulating the electrode process in conditions of linearly changing potential
PublicationAnalizowany był prąd elektrycznego modelu symulującego pierwszorzędową reakcję elektrodową zachodzącą w warunkach liniowo zmieniającego się potencjału z nałożonym sygnałem sinusoidalnym. Pokazano, że transformacja Fouriera nie odzwierciedla zmian amplitudy składowych komponentów w funkcji potencjału. Także matematycznie wykazano, że zastosowanie transformacji Gabora do analizy spektralnej pozwala uzyskać poprawną dekompozycję częstotliwościową....