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Search results for: TERSOFF POTENTIAL
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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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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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Potential degradation of norfloxacin using UV-C/Fe2+/peroxides-based oxidative pathways
PublicationThe removal of norfloxacin (NOR), a widely used pharmaceutical and emerging water pollutant, was studied using UV-C and Fe2+ catalyzed peroxides-based oxidative processes (e.g., UV-C/Fe2+/H2O2, UV-C/Fe2+/S2O82− and UV-C/Fe2+/HSO5−) and compared with UV-C and UV-C/Fe2+. The UV-C and UV-C/Fe2+ degraded NOR to 38 and 55 %. However, use of peroxides, i.e., H2O2, S2O82−, HSO5− with UV-C and UV-C/Fe2+ promoted NOR %degradation to 75,...
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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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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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he Potential of German Administrative Models for the Resolution of Public-Private Partnership Barriers in Poland
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Born-Oppenheimer potential energy curves of the NaK molecule
Open Research DataAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Pi, and Delta electronic states have been calculated for the NaK molecule. All results of the presented molecular states have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Surface-dependent biological potential of spherical silver nanoparticles
Open Research DataThe growing interest in silver nanoparticles (AgNPs) is largely driven by their significant antimicrobial potential. As carriers of reactive silver ions on a nanoscale, AgNPs are considered excellent candidates for specific antibacterial strategies. Numerous scientific studies have highlighted that AgNPs are broad-spectrum antimicrobials, with their...
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Secondary metabolites from Potentilla recta L. and Drymocallis rupestris (L.) Soják (syn. Potentilla rupestris L.) (Rosaceae)
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Potential energy curve, rovibrational energies and nuclear wave functions of 2 singlet Pi state in KLi dimer
Open Research DataThis data sets contains potential energy curve, energy levels and nuclear wave functions of rovibrational states of KLi dimer in 2 singlet Pi electronic state. Potential energy curve (PEC) for the electronic state was calculated in the Born-Oppenheimer approximation by the means of effective core potentials and MRCI method. Nuclear wave functions and...
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Potentilla—A review of its phytochemical and pharmacological profile
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Simultaneous determination of polyphenolics in extracts of Potentilla species
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Scattering of Dirac particles from nonlocal separable potentials: The eigenchannel approach
PublicationZastosowano nowe sformułowanie metody kanałów własnych [R. Szmytkowski, Ann. Phys. (N.Y.) 311, 503 (2004)] w rozpraszaniu cząstek Diraca na nielokalnych potencjałach separowalnych.
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Zero-range potentials for Direc particles: scattering and related continuum problems
PublicationW pracy przedstawiono rozszerzenie metody potencjałów zerowego promienia, szeroko wykorzystywanej w nierelatywistycznej mechanice , na przypadek cząstek Diraca. Nacisk położono na zagadnienie rozproszeniowe, do analizy którego zastosowano metodę kanałów własnych.
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Solution of coupled integral equations for quantum scattering in the presence of complex potentials
PublicationIn this paper, we present a method to compute solutions of coupled integral equations for quantum scattering problems in the presence of a complex potential. We show how the elastic and absorption cross sections can be obtained from the numerical solution of these equations in the asymptotic region at large radial distances.
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Structure and properties of liquid Al–Cu alloys: Empirical potentials compared
PublicationWe report on the structure and mass transport properties of liquid Al–Cu alloys predicted by two recently-developed empirical many-body potentials: MEAM (Jelinek et al., 2012) and EAM-ADP (Apostol and Mishin, 2011), and by the well-known Gupta potential. Total and partial pair correlation functions, angular distribution functions, densities, coordination numbers and self-diffusion coefficients are compared with published experimental...
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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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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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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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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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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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Renoprotective and Cardioprotective Potential of Moricandia sinaica (Boiss.) against Carbon Tetrachloride-Induced Toxicity in Rats
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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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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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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....
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Investigation of the antimicrobial potential and microbiota of bee pollen and bee bread derived from Polish apiaries
PublicationThe phenomenon of resistance of microorganisms to antibiotics is becoming one of the greatest challenges of modern medicine. At the same time, the number of new antibiotics introduced into clinical practice is decreasing. This creates the need to search for new, effective, non-antibiotic methods of combating and preventing infectious diseases. Over the last two decades, there has been renewed interest in the antimicrobial potential...
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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...
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Antiplasmodial Activity of Nitroaromatic and Quinoidal Compounds: Redox Potential vs Inhibition of Erythrocyte Glutathione Reductase
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A new potential mode of cardiorenal protection of KLOTHO gene variability in type 1 diabetic adolescents
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Double layer adhesive silicone dressing as a potential dermal drug delivery film in scar treatment
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A Holistic Approach to Determining Stereochemistry of Potential Pharmaceuticals by Circular Dichroism with β-Lactams as Test Cases
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ICTP concentration in cervical-vaginal fluid as a potential marker of membrane collagen degradation before labor
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Changes in the Mechanical Properties of Alginate-Gelatin Hydrogels with the Addition of Pygeum africanum with Potential Application in Urology
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Silver Nanoparticles as Chlorhexidine and Metronidazole Drug Delivery Platforms: Their Potential Use in Treating Periodontitis [Corrigendum]
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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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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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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...