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Search results for: EMPIRICAL POTENTIALS
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Characterization of Corrosion-Induced Fracture in Reinforced Concrete Beams Using Electrical Potential, Ultrasound and Low-Frequency Vibration
PublicationThe paper deals with the non-destructive experimental testing of the reinforced concrete beams under progressive corrosion. A series of experiments using electrical potential, ultrasound and low-frequency vibrations techniques are reported. Electrical potential and natural frequencies were used to characterise and monitor the corrosion process at its initial state. The P-wave velocity measurements were proved to be effective in...
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Construction of Optimized Energy Potential
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Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets
Open Research DataThis dataset consists of Full CI ground state Born-Oppenheimer potential energy curves and one-electron relativistic corrections for hydrogen dimer. Nonrelativistic energies, as well as one electron relativistic corrections (treated perturbatively with help of the Cowan-Griffin Hamiltonian) are presented for internuclear distances between 0.8 and 10...
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Trouble in Paradise? Barriers to Open Innovation in Regional Clusters in the Era of the 4th Industrial Revolution
PublicationThe purpose of this paper is to provide an insight into the barriers faced by clusters as open innovation intermediaries. Literature review and an empirical study were performed, involving a nation-wide survey, case studies, and in-depth interviews with cluster actors involved in open innovation activities. This article conceptually links open innovation and clusters in the context of the fourth industrial revolution, empirically...
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Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations
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Elucidation of chemical compounds in different extracts of two Lavandula taxa and their biological potentials: Walking with versatile agents on the road from nature to functional applications
PublicationDue to their health-promoting and nutraceutical properties, lavenders are frequently employed in the food and pharmaceutical industries. Here, we focused on investigate the chemical profile of hexane, MeOH, and water extracts of leaf, flower, and root of L. pedunculata and L. stoechas and to assess their antioxidant, enzyme inhibitory, and antibacterial properties. The highest total polyphenolic and flavonoids contents were recorded...
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Aqueous Extracts of Selected Potentilla Species Modulate Biological Activity of Human Normal Colon Cells
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Determination of polyphenolics in extracts of Potentilla species by high‐performance thin‐layer chromatography photodensitometry method
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ASSESSING THE POTENTIAL REPLACEMENT OF MINERAL OIL WITH ENVIRONMENTALLY ACCEPTABLE LUBRICANTS IN A STERN TUBE BEARING: AN EXPERIMENTAL ANALYSIS OF BEARING PERFORMANCE
PublicationT his study compares the performance of a plain bearing, with a similar structure to a tail shaft stern bearing, lubricated with either mineral oil or an environmentally acceptable lubricant (EAL). The main characteristic of the bearing is its length/diameter ratio of <1. Measurements are carried out with the bearing operating under loads from 0.5 to 1 MPa and seven speeds ranging from 1 to 11 rev/s. The bearing lubricated...
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Amino-modified mesoporous silica SBA-15 as bifunctional drug delivery system for cefazolin: Release profile and mineralization potential
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Aminopropyl-functionalized mesoporous silica SBA-15 as drug carrier for cefazolin: adsorption profiles, release studies, and mineralization potential
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Cholinesterase inhibitory activity, antioxidative potential and microbial stability of innovative liver pâté fortified with rosemary extract (Rosmarinus officinalis)
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Potential Skyrmion Host Fe(IO3)3: Connecting Stereoactive Lone-Pair Electron Effects to the Dzyaloshinskii-Moriya Interaction
PublicationMagnetic skyrmions, which are topologically distinct magnetic spin textures, are gaining increased attention for their unique physical properties and potential applications in spintronic devices. Here we present a design strategy for skyrmion host candidates based on combinations of magnetic spin, asymmetric building units having stereoactive lone-pair electrons, and polar lattice symmetry. To demonstrate the viability of the proposed...
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Novel molecules containing structural features of NSAIDs and 1,2,3-triazole ring: Design, synthesis and evaluation as potential cytotoxic agents
PublicationFor the first time the template containing structural features of more than one NSAIDs and the 1,2,3-triazole ring was explored for the identification of potential cytotoxic agents. These new and complex molecules were predicted to be effective inhibitors of PDE4B by molecular modelling studies in silico. The multi-step synthesis of these compounds were carried out starting from the well-known drug nimesulide and involved the use...
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Potential of bioethanol production from biomass of various Miscanthus genotypes cultivated in three-year plantations in west-central Poland
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Genetic and biochemical determinants of serum concentrations of monocyte chemoattractant protein-1, a potential neural tube defect risk factor
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Intelligent and active furcellaran-gelatin films containing green or pu-erh tea extracts: Characterization, antioxidant and antimicrobial potential
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Novel molecules containing structural features of NSAIDs and 1,2,3-triazole ring: Design, synthesis and evaluation as potential cytotoxic agents
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Comparison of two approaches to potential of mean force calculations of hydrophobic association: particle insertion and weighted histogram analysis methods
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Synthesis of conjugates of muramyl dipeptide and nor-muramyl dipeptide with retro-tuftsin (Arg-Pro-Lys-ThrOMe) as potential immunostimulants.
PublicationOpisano syntezę nowych koniugatów muramylodipeptydu i nor-muramylo-dipeptydu z estrem metylowym tuftsyny o odwróconej sekwencji (Arg-Pro-Lys-Thr-OMe)jako potencjalnych immunostymulantów. Synteza tych połączeń została przeprowadzona zgodnie z zasadami chemii peptydów.
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New ceramic materials derived from pyrolyzed poly(1,2-dimethylsilazane) and starch as a potential anode for Li-ion batteries
PublicationNewmaterialswere obtained by pyrolysis of starch (S) and poly(1,2-dimethylsilazane) (PSN) (weight ratio: PSN/S 30/70) at temperature a) 500 °C, b) 700 °C and c) 900 °C. Ceramic materials were characterized by infrared spectroscopy, TGA, Raman spectroscopy and SEM. New Si\O and shifted Si\C stretching vibration modes emerged confirming direct interaction between silicon originating fromsilazane and oxygen coming fromstarch. The...
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Heteroleptic cadmium(II) complex, potential precursor for semiconducting CdS layers. Thermal stability and non-isothermal decomposition kinetics
PublicationW ramach pracy zweryfikowano stabilność termiczną [Cd{SSi(OBut)3}(S2CNEt2)]2 - potencjalnego prekursora do otrzymywania warstw półprzewodnikowych CdS. Równocześnie przeprowadzono analizę kinetyki rozkładu za pomocą różnych metod izokonwersyjnych zaproponowanych przez Flynn-Wall-Ozawa, Kissinger-Akahira-Sunose i Friedmanna w wyniku czego wyznaczono całkowity tryplet kinetyczny dla omawianego kompleksu.
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Genome Mining Revealed a High Biosynthetic Potential for Antifungal Streptomyces sp. S-2 Isolated from Black Soot
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Prebiotic Potential of Oligosaccharides Obtained by Acid Hydrolysis of α-(1→3)-Glucan from Laetiporus sulphureus: A Pilot Study
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Phytochemical analysis of aerial parts of Persicaria bistorta (L.) Samp. and the evaluation of the anti-inflammatory potential of rare malonylated flavonols
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Beer as a potential source of macroelements in a diet: the analysis of calcium, chlorine, potassium, and phosphorus content in a popular low-alcoholic drink
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GRA2 and ROP1 Recombinant Antigens as Potential Markers for Detection of Toxoplasma gondii -Specific Immunoglobulin G in Humans with Acute Toxoplasmosis
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Potential of mucoadhesive chitosan glutamate microparticles as microbicide carriers – antiherpes activity and penetration behavior across the human vaginal epithelium
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Biomaterials with Potential Use in Bone Tissue Regeneration—Collagen/Chitosan/Silk Fibroin Scaffolds Cross-Linked by EDC/NHS
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Assessment of the Development Potential of Post-Industrial Areas in Terms of Social, Economic and Environmental Aspects: The Case of Wałbrzych Region (Poland)
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Potential DPP IV Inhibitory Peptides from Dry-Cured Pork Loins after Hydrolysis: An In Vitro and In Silico Study
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Potential of Bacterial Cellulose Chemisorbed with Anti-Metabolites, 3-Bromopyruvate or Sertraline, to Fight against Helicobacter pylori Lawn Biofilm
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Potential Predictive Value of Serum Pentraxin 3 and Paraoxonase 1 for Cardiometabolic Disorders Development in Patients with Psoriasis—Preliminary Data
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A systematic review on global pollution status of particulate matter-associated potential toxic elements and health perspectives in urban environment
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The impact of potential leakage from the sub-seabed CO2 storage site on the phosphorus transformation in marine sediments – An experimental study
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Effect of Oyster Mushroom Addition on Improving the Sensory Properties, Nutritional Value and Increasing the Antioxidant Potential of Carp Meat Burgers
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GRA2 and ROP1 recombinant antigens as potential markers for detection of Toxoplasma gondii-specific immunoglobulin G in humans with acute toxoplasmosis.
PublicationArtykuł przedstawia oszacowanie przydatności w serodiagnostyce toksoplazmozy dwóch rekombinatowych białek antygenowych GRA2 i ROP1 Toxoplasma gondii. Białka rekombinantowe otrzymano z wykorzystaniem bardzo wydajnego, bakteryjnego systemu ekspresyjnego, który pozwolił na otrzymanie miligramowych ilości antygenów z 1 litra hodowli po zastosowaniu jednoetapowego oczyszczania metodą chromatografii metalopowinowactwa. Użyteczność diagnostyczna...
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Widening of the electroactivity potential range by composite formation – capacitive properties of TiO2/BiVO4/PEDOT:PSS electrodes in contact with an aqueous electrolyte
PublicationComposites based on the titania nanotubes were tested in aqueous electrolyte as a potential electrode material for energy storage devices. The nanotubular morphology of TiO2 was obtained by Ti anodization. TiO2 nanotubes were covered by a thin layer of bismuth vanadate using pulsed laser deposition. The formation of the TiO2/BiVO4 junction leads to enhancement of pseudocapacitance in the cathodic potential range. The third component,...
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Interaction of cisplatin and two potential antitumoral platinum(ii) complexes with a model lipid membrane: a combined NMR and MD study
PublicationIn this study, the interaction of cisplatin (1) and two potential antitumoral Pt(II) complexes (2 and 3) with a model DMPC bilayer was investigated by multinuclear NMR spectroscopy and MD simulations in order to understand its implication for the different antitumoral properties shown by the three complexes. In particular, 31P, 13C and 2H solid state NMR experiments were performed to obtain information on the phase structure, phase...
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In vitro studies of antimicrobial activity of Gly-His-Lys conjugates as potential and promising candidates for therapeutics in skin and tissue infections
PublicationWe presented in vitro studies of antimicrobial activity of Gly-His-Lys conjugates that are important point in preliminary biological evaluation of their potential application in skin and tissue therapy. The novel compounds include the conjugation of fatty acids with a modification of the amino acid sequence in the primary structure of Gly-His-Lys.
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Potential and limits of landfill leachate treatment in a multi-stage subsurface flow constructed wetland – evaluation of organics and nitrogen removal
PublicationConstructed wetlands have potential of treating wastewater of poor biodegradability. The performance of a multistage sub-surface flow wetland treating municipal landfill leachate was assessed during three years of operation. During the study three research periods with different operation conditions were established. The hydralic loads, operation mode of vertical flow beds and type of treated wastewater (raw leachate – leachate...
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Electrochemical Stability of Few-Layered Phosphorene Flakes on Boron-Doped Diamond: A Wide Potential Range of Studies in Aqueous Solutions
PublicationTwo-dimensional phosphorene has attracted great interest since its discovery as a result of its extraordinary properties. Two-dimensional single crystals of phosphorene can be useful for electrochemical (EC) sensing applications due to their enhanced surface-to-volume ratio. We proposed to investigate the electrochemical performance of phosphorene deposited directly on boron-doped diamond (BDD) electrodes. Noncovalent interaction...
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Development of a Peptide Derived from Platelet-Derived Growth Factor (PDGF-BB) into a Potential Drug Candidate for the Treatment of Wounds
PublicationObjective: This study evaluated the use of novel peptides derived from platelet-derived growth factor (PDGF-BB) as potential wound healing stimulants. One of the compounds (named PDGF2) was subjected for further research after cytotoxicity and proliferation assays on human skin cells. Further investigation included evaluation of: migration and chemotaxis of skin cells, immunological and allergic safety, the transcriptional analyses...
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Influence of Storage Time and Temperature on the Toxicity, Endocrine Potential, and Migration of Epoxy Resin Precursors in Extracts of Food Packaging Materials
PublicationThe aim of the present study was to establish a standard methodology for the extraction of epoxy resin precursors from several types of food packages (cans, multi-layered composite material, and cups) with selected simulation media (distilled water, 5% ethanol, 3% dimethyl sulfoxide, 5% acetic acid, artificial saliva) at different extraction times and temperatures (factors). Biological analyses were conducted to determine the acute...
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Ciprofloxacin-modified degradable hybrid polyurethane-polylactide porous scaffolds developed for potential use as an antibacterial scaffold for regeneration of skin
PublicationThe aim of the performed study was to fabricate an antibacterial and degradable scaffold that may be used in the field of skin regeneration. To reach the degradation criterion for the biocompatible polyurethane (PUR), obtained by using amorphous α,ω-dihydroxy(ethylene-butylene adipate) macrodiol (PEBA), was used and processed with so-called “fast-degradable” polymer polylactide (PLA) (5 or 10 wt %). To meet the antibacterial requirement...
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Epitope Mapping of BmpA and BBK32 Borrelia burgdorferi Sensu Stricto Antigens for the Design of Chimeric Proteins with Potential Diagnostic Value
PublicationLyme disease is a tick-borne zoonosis caused by Gramnegative bacteria belonging to the Borrelia burgdorferi sensu lato (s.l.) group. In this study, IgM- and IgG-specific linear epitopes of two B. burgdorferi sensu stricto (s.s.) antigens BmpA and BBK32 were mapped using a polypeptide array. Subsequently, two chimeric proteins BmpABBK32-M and BmpA-BBK32-G were designed to validate the construction of chimeras using the identified...
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Structure and the Biochemical Potential of the Bacterial Community in Wastewater Treatment Plant Effluent and in Receiving Waters: Northern Poland Case Study
PublicationWastewater treatment processes are monitored mainly in terms of biogenic substance removal efficiency. Little is known about the treated wastewater microbiome and its influence on the recipient. In this study, a wide range of methods (cultivation, microscopic analysis, New Generation Sequencing and Real Time PCR) were employed to determine the bacterial community composition of the treated wastewater and its receiver. Preliminary...
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Evaluation and cellular responses of modulators of TRF1/TRF2 protein’s function as potential anticancer drugs interfering with telomeric shelterin’s function
PublicationA number of proteins that interact with telomeres have been identified in human cells, indicating the high plasticity of human nucleoprotein complex organization. The most important complex is the "shelterin" complex, which consists of six proteins: TRF1, TRF2, TIN2, POT1, TPP1. The TRF1 and TRF2 directly bind to telomeric double-stranded DNA and the TIN2 protein. The TIN2 protein also binds to the TPP1 protein, stabilizing the...
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Novel monovalent and multivalent recombinant proteins of Borrelia burgdorferi sensu lato with potential diagnostic value – construction and biotechnological production
PublicationThe diverse antigenic structure of Borrelia burgdorferi sensu lato (s.l.) and the low degree of protein sequence conservation between genospecies causes many limitations in serodiagnosis of Lyme disease (LD). Using expression systems based on Escherichia coli, five monovalent B. burgdorferi s.l. recombinant proteins were produced. i.e., BB0108, BB0126, BB0298, BB0323, BB0689 (each in three variants derived from Borrelia afzelii,...
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Experimental and numerical study of thermal and electrical potential of BIPV/T collector in the form of air-cooled photovoltaic roof tile
PublicationAmong renewable energy sources, Building-Integrated Photovoltaic/Thermal (BIPV/T) systems are gaining increasing interest. To improve their economic competitiveness, technologies that increase their efficiency are searched for. The paper is devoted to evaluating the impact of various air-cooling configurations on the thermal and electrical performance of a photovoltaic roof tile. A numerical model of the own experimental system...