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NK1 receptor binding of a few low molecular weight 3,5-bistrifluoromethylbenzene derivatives
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Fentanyl Family at the Mu-Opioid Receptor: Uniform Assessment of Binding and Computational Analysis
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Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants
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Hybrid materials comprising trimethylglycinamide groups: immobilization consequences for anion binding affinities
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Intermolecular Hydrogen Bonding Directed by Aryl–Perfluoroaryl π–π Stacking Interactions
PublicationThe crystal structures of five compounds capable of forming self-complementary hydrogen bonds but crystallizing as catemers or creating more complex crystal structures were compared with their complexes prepared by cocrystallization with perfluoroaryl compounds. The results of X-ray diffraction revealed that in all the cases the π–π stacking interactions caused reorganization of hydrogen bonds and induced creation of the expected...
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DNAffinity: a machine-learning approach to predict DNA binding affinities of transcription factors
PublicationWe present a physics-based machine learning approach to predict in vitro transcription factor binding affinities from structural and mechanical DNA properties directly derived from atomistic molecular dynamics simulations. The method is able to predict affinities obtained with techniques as different as uPBM, gcPBM and HT-SELEX with an excellent performance, much better than existing algorithms. Due to its nature, the method can...
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A chemo-mechano-thermodynamical contact theory for adhesion, friction, and (de)bonding reactions
PublicationThis work presents a self-contained continuum formulation for coupled chemical, mechanical, and thermal contact interactions. The formulation is very general and, hence, admits arbitrary geometry, deformation, and material behavior. All model equations are derived rigorously from the balance laws of mass, momentum, energy, and entropy in the framework of irreversible thermodynamics, thus exposing all the coupling present in the...
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A general theory for anisotropic Kirchhoff–Love shells with in-plane bending of embedded fibers
PublicationThis work presents a generalized Kirchhoff–Love shell theory that can explicitly capture fiber-induced anisotropy not only in stretching and out-of-plane bending, but also in in-plane bending. This setup is particularly suitable for heterogeneous and fibrous materials such as textiles, biomaterials, composites and pantographic structures. The presented theory is a direct extension of classical Kirchhoff–Love shell theory to incorporate...
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Accuracy Investigations of Turbine Blading Neural Models Applied to Thermal and Flow Diagnostics
PublicationPossibility of replacing computional fluid dynamics simulations by a neural model for fluid flow and thermal diagnostics of steam turbines is investigated. Results of calculations of velocity magnitude of steam for 3D model of the stator of steam turbine is presented.
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A new prototype of piezoelectric bending resonant transducer for analysis of soft tissues properties
PublicationThis paper is devoted to a new piezoelectric bending resonant transducer prototype dedicated to the characterization of the mechanical properties of soft tissue. A general description of the actuator’s structure is presented including the basic principles of the measurement. The chosen geometry of the prototype is discussed and compared with the existing version. Constitutive equations are presented for the active and passive layer...
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Ranking of ecotoxisity tests for underground water assessment using the Hasse diagram technique
PublicationThe present study deals with the novel application of the Hasse diagram technique (HDT) for the specific ranking of ecotoxicity tests capable of assessment of underground water quality. The area studied is a multi-municipal landfill in the northern Poland. The monitoring network of the landfill constitutes of 27 piezometers for underground water monitoring and two observation points at surface water courses. After sampling, chemical...
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A Colorimetric Microplate Assay for DNA-Binding Activity of His-Tagged MutS Protein
PublicationA simple microplate method was designed for rapid testing DNA-binding activity of proteins. The principle of the assay involves binding of tested DNA by his-tagged protein immobilized on a nickel-coated ELISA plate, following colorimetric detection of biotinylated DNA with avidin conjugated to horseradish peroxidase. The method was used to compare DNA mismatch binding activities of MutS proteins from three bacterial species. The...
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An assessment of Islamic banking in Bosnia and Herzegovina – a comparative analysis using the CAMELS approach
PublicationThis paper examines the phenomenon of Islamic banking in Bosnia and Herzegovina. Although almost half of the Bosnian population is recognized as Islamic, there is only one bank purely based on Sharia operating in this country. The aim of the article is to conduct a comparative analysis of the financial standing of this bank and the banking sector in this country and region. The chosen method of analysis is CAMELS which examines...
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Assessment of Adjustment of GNSS Railway Measurements with Parameter-Binding Conditions in a Stationary Scenario
PublicationThe study aims to assess the applicability of the ordinary least squares method, robust estimation, and conditions-binded adjustment in processing the six synchronous coordinate pairs of global navigation satellite system (GNSS) receivers. The research is part of the research project InnoSatTrack, focused on the enhancement of the determination of geometrical parameters of railway tracks using GNSS, inertial, and other sensors....
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ENERGY AND EMISSION QUALITY RANKING OF NEWLY PRODUCED LOW-SULPHUR MARINE FUEL
PublicationThe article describes the methodology of engine tests on new types of low-sulphur marine fuels in laboratory conditions in order to conduct a comprehensive assessment of their suitability for powering full-size marine engines. The innovativeness of the proposed solution consists of adapting the laboratory Diesel Engine Test Bed to carry out experimental tests using residual and alternative fuels so that it is possible to imitate...
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The Use of Direct Shear Test for Optimization of Interlayer Bonding Under a Poroelastic Layer
PublicationPoroelastic Road Surfaces (PERS) are characterised by porous structure with air void content of 20% or higher and stiffness almost 10 times lower than that of a standard asphalt course. Such properties enable noise reduction by up to 12 dB in comparison to SMA 11 mixture. However, the disadvantage of a poroelastic pavement is its low durability, which partially results from delamination from the lower layer. The paper aims to investigate...
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Single-stranded DNA-binding proteins (SSBs) - sources and applicationsin molecular biology
PublicationBiałka wiążące się do jednoniciowego DNA (SSB) odgrywają ważną rolę w replikacji, rekombinacji i naprawie DNA u bakterii, archea i eukariota. Ostatnio wzrosło zainteresowanie białkami SSB jako przydatnymi narzędziami w metodach badawczych biologii molekularnej, analitycznych i diagnostycznych. Większość znanych prokariotycznych białek SSB zbudowanych jest z czterech podjednostek (homotetramer) z jedną domeną wiążąca (OB) jednoniciowe...
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Analysis of coupled coplanar waveguide with ideal bonding wires between ground conductors
PublicationPrzedstawiono zmodyfikowaną analizę sprzężonych linii koplanarnych prowadzącą do uproszczenia procesu modelowania struktur wieloprzewodowych zawierających poprzecznie ułożone względem kierunku propagacji fali mostki dla wyrównania potencjałów na odseparowanych przestrzennie przewodach. Wyniki analizy teoretycznej zweryfikowano doświadczalnie uzyskując potwierdzenie poprawności zastosowanego podejścia.
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SIMULATIONS OF FRACTURE IN CONCRETE BEAMS UNDER BENDING USING A CONTINUUM AND DISCRETE APPROACH
PublicationThe paper describes two-dimensional meso-scale results of fracture in notched concrete beams under bending. Concrete was modelled as a random heterogeneous 4-phase material composed of aggregate particles, cement matrix, interfacial transitional zones and air voids. Within continuum mechanics, the simulations were carried out with the finite element method based on a isotropic damage constitutive model enhanced by a characteristic...
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Bankhistorisches Archiv. Banking and Finance in Historical Perspective
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Efficiency of hybrid equipment combining operations of surface hardening by high frequency currents and abrasive grinding
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Road mortality of pond-breeding amphibians during spring migrations in the Mazurian Lakeland, NE Poland
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The Influence of the Depth of Cut in Single-Pass Grinding on the Microstructure and Properties of the C45 Steel Surface Layer
PublicationThe paper contains the results of a metallographic examination and nanoindentation test conducted for the medium carbon structural steel with low content of Mn, Si, Cu, Cr, and Ni after its grinding to a depth ranging from 2 μm to 20 μm, at constant cutting speed (peripheral speed) of vs = 25 ms−1 and constant feed rate of vft = 1 m/min. Applied grinding parameters did not cause the surface layer hardening, which could generate...
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The use of Preston equation to determine material removal during lap-grinding with electroplated CBN tools
PublicationGrinding executed in a lapping configuration is an alternative finishing process benefiting from both grinding and free-abrasive machining, while minimizing the heat effect impact. Electroplated tools can be effectively used in different abrasive processes, including high-speed grinding, however, the assessment of machining performance over time is a key factor in their correct use to achieve satisfactory technological results....
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Analysis of Roughness, the Material Removal Rate, and the Acoustic Emission Signal Obtained in Flat Grinding Processes
PublicationIn this work, the analysis of the acoustic emission (AE) signal in grinding processes is addressed. The proposed analysis method decomposes the acoustic signal into three frequency ranges. The total energy of each range is determined, as well as the highest frequency. Different grinding experiments were carried out, according to a full factorial design of experiments (DOE), in which feed speed, depth of cut, and transversal step...
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Sensitivity, Specificity and Prioritization of Gene Set Analysis When Applying Different Ranking Metrics
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Customization of UWB 3D-RTLS Based on the New Uncertainty Model of the AoA Ranging Technique
PublicationThe increased potential and effectiveness of Real-time Locating Systems (RTLSs) substantially influence their application spectrum. They are widely used, inter alia, in the industrial sector, healthcare, home care, and in logistic and security applications. The research aims to develop an analytical method to customize UWB-based RTLS, in order to improve their localization performance in terms of accuracy and precision. The analytical...
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Synthesis, structure, DNA binding and anticancer activity of mixed ligand ruthenium(II) complex
PublicationIn order to obtain a potential chemotherapeutic which is not affected on the normal BALB/3T3 cell line, a new arene ruthenium(II) complex {[RuCl(L1)(η6-p-cymene)]PF6}2 · H2O has been synthesized by a direct reaction of precursor, [{(η6-p-cymene)Ru(μ-Cl)}2Cl2], with N,N-chelating ligand (L1 - 2,2′-bis(4,5-dimethylimidazole). The compound has been fully characterized by elemental analysis, X-ray diffraction, IR, UV–Vis and 1H, 13C...
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EM-Driven Multi-Objective Design of Impedance Transformers By Pareto Ranking Bisection Algorithm
PublicationIn the paper, the problem of fast multi-objective optimization of compact impedance matching transformers is addressed by utilizing a novel Pareto ranking bisection algorithm. It approximates the Pareto front by dividing line segments connecting the designs found in the previous iterations, and refining the obtained candidate solutions by means of poll-type search involving Pareto ranking. The final Pareto set is obtained using...
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Thermodynamic, Anticoagulant, and Antiproliferative Properties of Thrombin Binding Aptamer Containing Novel UNA Derivative
PublicationThrombin is a serine protease that plays a crucial role in hemostasis, fibrinolysis, cell proliferation, and migration. Thrombin binding aptamer (TBA) is able to inhibit the activity of thrombin molecule via binding to its exosite I. This 15-nt DNA oligonucleotide forms an intramolecular, antiparallel G-quadruplex structure with a chair-like conformation. In this paper, we report on our investigations on the influence of certain...
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A highly thermostable, homodimeric single-stranded DNA-binding protein from Deinococcus radiopugnans
PublicationWe report the identification and characterization of the single-stranded DNA-binding protein (SSB) from the mesophile and highly radiation-resistant Deinococcus radiopugnans (DrpSSB). PCR-derived DNA fragment containing the complete structural gene for DrpSSB protein was cloned and expressed in Escherichia coli. The gene consisting of an open reading frame of 900 nucleotides encodes a protein of 300 amino acids with a calculated...
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Induction of chirality in 4,4'-azopyridine by halogen-bonding interaction with optically active ditopic donors
PublicationOptically active ditopic halogen bond donors bearing two 4-iodotetrafluorophenyl groups were obtained by reaction of chiral diols with iodopentafluorobenzene. Co-crystallization of these donors with anti-4,4′-azopyridine afforded binary complexes containing infinite chains of the alternating component molecules connected by halogen bonds. The solid state CD measurements confirmed that complexation induces optical activity of the...
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The application of the Superpave method of climatic zones analysis in Poland with regard to bitumen performance grading
PublicationCurrently in Poland, similarly as in the other EU countries, road bitumens are tested and classified with regard to mainly the penetration value determined at the tempera-ture of 25C. It should be noted that this classification is not correlated with the cli-matic conditions in which the bitumens are to serve in the road pavement. Towards the end of the last century a new system of bitumen grading was developed and im-plemented...
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Novel thermostable single-stranded DNA-binding protein (SSB) from Deinococcus geothermalis
PublicationW celu zbadania właściwości biochemicznych białka wiążącego się do jednoniciowego DNA (SSB) pochodzącego z Deinococcus geothermalis (DgeSSB), sklonowano gen ssb otrzymany w reakcji PCR, a następnie uzyskano wydajną biosyntezę białka DgeSSB. Gen składa się z 900 par zasad, kodujących białko złożone z 300 reszt aminokwasowych, o wyliczonej masie molekularnej równej 32.45 kDa. Sekwencja aminokwasowa wykazuje 43, 44% i 75% identyczności...
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Novel Potential Binding Sites for Selective Inhibitor Design of Human Soluble Epoxide Hydrolase
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Surface topography analysis based on fatigue fractures obtained with bending of the 2017A-T4 alloy
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Reality of short-term causality of Islamic and conventional banking term deposit rates in Pakistan
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Combining tight-binding and molecular dynamics methods to model the behaviour of metals in the plastic regime
PublicationOpisujemy zastosowanie metody dwuskalowej (kwantowo-klasycznej) w zastosowaniu do metali. Region energetycznie najważniejszy jest traktowany kwantowo, podczas gdy reszta układu jest traktowana klasycznie. Wprowadzamy własną implementację metody oraz przedstawiamy uzyskane wyniki dla metali.
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Adipocyte Fatty Acid‐Binding Protein as a Novel Marker of Psoriasis and Clinical Response to Acitretin
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The effect of topical treatment and psoriasis severity on serum retinol-binding protein-4 levels
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Inhibition Ability of Natural Compounds on Receptor-Binding Domain of SARS-CoV2: An In Silico Approach
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Three Point Bending of Laser Engineered Net Shaping (LENS) Repaired Inconel 625
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Studies on Aryl-Substituted Phenylalanines: Synthesis, Activity, and Different Binding Modes at AMPA Receptors
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Identification and properties of the psychrophilic bacterium Desulfolatea psychrophila single-stranded DNA binding proteins
PublicationTo study the biochemical properties of SSB from Desulfolatea psychrophila (DpsSSB), we have cloned the ssb genes obtained by PCR and have developed Escherichia coli overexpression systems. The gene consists of an open reading frame of 426 nucleotides encoding SSB protein of 142 amino acids with a calculated molecular mass of 15.6 kDa and it is the smallest known bacterial SSB protein indentified to date. The amino-acid sequence...
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Novel single-stranded DNA-binding protein from psyvhrophilic bacterium Psychrobacter arcticus
PublicationTo study the biochemical properties of SSB from Psychrobacter arcticus (ParSSB), we have cloned the ssb genes obtained by PCR and have developed Escherichia coli overexpression systems. The gene consists of an open reading frame of 642 nucleotides encoding SSB protein of 213 amino acids with a calculated molecular mass of 22.8 kDa. The amino-acid sequence of ParSSB exhibits 49% identity and 57% similarity to Escherichia coli SSB....
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Paper profits or real money? Trading costs and stock market anomalies in country ETFs
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Trading costs, short sale constraints, and the performance of stock market anomalies in Emerging Europe
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THE PERFORMANCE OF SELECTED AB INITIO METHODS IN ESTIMATING ELECTRON BINDING ENERGIES OF SUPERHALOGEN ANIONS
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The saturation of the excess electron binding energy in AlnF3n+1- (n= 1–5) anions
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Experimental investigation and process parameter optimization of sheet metal bending by line heating method
PublicationThe present study is concerned with the experimental investigation of sheet metal deforming by line heating method that incorporates the combined effect of traverse speed of the torch, thickness of the sheet metal, and the number of passes of the torch. For the numerical analysis of metal bending by line heating, the