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Search results for: TERSOFF POTENTIAL
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Efficient parallel algorithms in global optimization of potential energy functions for peptides, proteins, and crystals
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Role of Myeloid-derived suppressor cell (MDSC) in autoimmunity and its potential as a therapeutic target
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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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Distinguishing of cocrystals from simple eutectic mixtures: phenolic acids as potential pharmaceutical coformers
PublicationThe multiparameter model comprising 1D and 2D QSPR/QSAR descriptors was proposed and validated for phenolic acid binary systems. This approach is based on the optimization of regression coefficients for maximization of the percentage of true positives in the pool of systems comprising either simple binary eutectics or cocrystals. The training set consisted of 58 eutectics and 168 cocrystals. The solid dispersions collection used...
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Mesenchymal Phenotype of CTC-Enriched Blood Fraction and Lymph Node Metastasis Formation Potential
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Microwave Assisted Liquefaction with Crude Glycerol as a Potential Method of Brewer’s Spent Grain Utilization
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Variability of Hordeum vulgare L. Cultivars in Yield, Antioxidant Potential, and Cholinesterase Inhibitory Activity
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GIS estimated potential of rooftop PVs in urban areas - case study Wrocław (Poland)
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Potential of Liquid Biopsy in Papillary Thyroid Carcinoma in Context of miRNA, BRAF and p53 Mutation
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The influence of selenium addition during germination of Brassica seeds on health-promoting potential of sprouts
PublicationThe correlation among selenium uptake, the content of bioactive compounds in sprouts, and biological activities triggered in cultured human cells by sprout extracts was investigated. Seeds of Brassica crops and rye were treated with SeO2 water solution. The selenium levels in sprouts increased from 1.0-4.1 to 53.3-382 μg/g dw with no influence on plant physiology according to the indices used. Neither the composition of glucosinolates...
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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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The potential of imogolite nanotubes as (co-)photocatalysts: a linear-scaling density functional theory study
PublicationWe report a linear-scaling density functional theory (DFT) study of the structure, wall-polarization absolute band-alignment and optical absorption of several, recently synthesized, open-ended imogolite (Imo) nanotubes (NTs), namely single-walled (SW) aluminosilicate (AlSi), SW aluminogermanate (AlGe), SW methylated aluminosilicate (AlSi-Me), and double-walled (DW) AlGe NTs. Simulations with three different semi-local and dispersion-corrected...
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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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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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Metabolomic approach for determination of urinary nucleosides as potential tumor markers using electromigration techniques
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Silver Nanoparticles as Chlorhexidine and Metronidazole Drug Delivery Platforms: Their Potential Use in Treating Periodontitis
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Liquid chromatography tandem mass spectrometry study of urinary nucleosides as potential cancer markers
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Analysis of urinary nucleosides as potential cancer markers determined using LC–MS technique
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Lipoic Acid-Coated Silver Nanoparticles: Biosafety Potential on the Vascular Microenvironment and Antibacterial Properties
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Statistical-based approach in potential diagnostic application of urinary nucleosides in urogenital tract cancer
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Potential of Biocellulose Carrier Impregnated with Essential Oils to Fight Against Biofilms Formed on Hydroxyapatite
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Potential of Novel Bacterial Cellulose Dressings Chemisorbed with Antiseptics for the Treatment of Oral Biofilm Infections
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Photosensitizing potential of tailored magnetite hybrid nanoparticles functionalized with levan and zinc (II) phthalocyanine
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Spray-Dried Potato Juice as a Potential Functional Food Component with Gastrointestinal Protective Effects
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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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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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Cell Wall Epitopes and Endoploidy as Reporters of Embryogenic Potential in Brachypodium Distachyon Callus Culture
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Skin cancer, including related pathways and therapy and the role of luteolin derivatives as potential therapeutics
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Potential negative effect of long-term exposure to nitrofurans on bacteria isolated from wastewater
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The enhancement of anti-staphylococcal potential of plant derived naphthoquinones as a result of combination with silver nanoparticles
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Synthesis of new conjugates of MDP and nor-MDP with retro-tuftsin derivatives as potential immunomodulators
PublicationZsyntetyzowano nowe analogi muramylodipeptydu (MDP) i nor-muramylo-dipeptydu (nor-MDP) z pochodnymi retro-tuftsyny jako potencjalne immunomodulatory. Przedstawiono także syntezę odpowiednich pochodnych retro-tuftsyny. Do syntezy wykorzystano metodę mieszanych bezwodników z chloromrówczanem izobutylu i N-metylomorfoliną w bezwodnym DMF.
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Synthesis of analogues of anthraquinones linked to tuftsin or retro-tuftsin residues as potential topoisomerase inhibitors
PublicationZsyntetyzowano 10 nowych analogów antrachinonów z pochodnymi tuftsyny i retro-tuftsyny jako potencjalne inhibitory topoizomerazy. Substratem wyjściowym były zsyntetyzowane 1,4-, 1,5- i 1,8-bis(tosyloksy)-9,10-antrachinony oraz odpowiednio chronione pochodne tuftsyny i retro-tuftsyny, które otrzymano metodą mieszanych bezwodników z zastosowaniem chloromrówczanu izobutylu i NMM. Reakcje prowadzone były w acetonitrylu pod azotem w...
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Cellular Turnover: A Potential Metabolic Rate–Driven Mechanism to Mitigate Accumulation of DNA Damage
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Potential threat to Polish lakes and reservoirs from contamination by objects of environmental flood risk
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Sustainable polylysine conversion to nitrogen‐containing porous carbon flakes: Potential application in supercapacitors
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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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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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Potential applications of by-products from the coffee industry in polymer technology – Current state and perspectives
PublicationCoffee is one of the most popular beverages in the world, and its popularity is continuously growing, which can be expressed by almost doubling production over the last three decades. Cultivation, processing, roasting, and brewing coffee are known for many years. These processes generate significant amounts of by-products since coffee bean stands for around 50% of the coffee cherry. Therefore, considering the current pro-ecological...
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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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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...