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Wyniki wyszukiwania dla: CLASSICAL CAPACITIES OF QUANTUM
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Revisiting The Determination Of Cutting Power While Sawing Of Wood With Circular Saw Blades By Means Of Fracture Mechanics
PublikacjaIn the classical approach, energetic effects (cutting forces and cutting power) of wood sawing process are generally calculated on the basis of the specific cutting resistance, which is in the case of wood cutting the function of more or less important factors. On the other hand, cutting forces (power) could be considered from a point of view of modern fracture mechanics. Cutting forces may be employed to determine not only toughness...
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Wild oscillations in a nonlinear neuron model with resets: (II) Mixed-mode oscillations
PublikacjaThis work continues the analysis of complex dynamics in a class of bidimensional nonlinear hybrid dynamical systems with resets modeling neuronal voltage dynamics with adaptation and spike emission. We show that these models can generically display a form of mixed-mode oscillations (MMOs), which are trajectories featuring an alternation of small oscillations with spikes or bursts (multiple consecutive spikes). The mechanism by...
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An Ultra-Low-Energy Analog Comparator for A/D Converters in CMOS Image Sensors
PublikacjaThis paper proposes a new solution of an ultra-low-energy analog comparator, dedicated to slope analog-to-digital converters (ADC), particularly suited for CMOS image sensors (CISs) featuring a large number of ADCs. For massively parallel imaging arrays, this number may be as high as tens-hundreds of thousands ADCs. As each ADC includes an analog comparator, the number of these comparators in CIS is always high. Detailed analysis...
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Deep Eutectic Solvents as Agents for Improving the Solubility of Edaravone: Experimental and Theoretical Considerations
PublikacjaIn this study, both practical and theoretical aspects of the solubility of edaravone (EDA) in Deep Eutectic Solvents (DESs) were considered. The solubility of edaravone in some media, including water, can be limited, which creates the need for new efficient and environmentally safe solvents. The solubility of EDA was measured spectrophotometrically and the complex intermolecular interactions within the systems were studied with...
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Deep Eutectic Solvents as Agents for Improving the Solubility of Edaravone: Experimental and Theoretical Considerations
PublikacjaIn this study, both practical and theoretical aspects of the solubility of edaravone (EDA) in Deep Eutectic Solvents (DESs) were considered. The solubility of edaravone in some media, including water, can be limited, which creates the need for new efficient and environmentally safe solvents. The solubility of EDA was measured spectrophotometrically and the complex intermolecular interactions within the systems were studied with...
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Discrete and continuous fractional persistence problems – the positivity property and applications
PublikacjaIn this article, we study the continuous and discrete fractional persistence problem which looks for the persistence of properties of a given classical (α=1) differential equation in the fractional case (here using fractional Caputo’s derivatives) and the numerical scheme which are associated (here with discrete Grünwald–Letnikov derivatives). Our main concerns are positivity, order preserving ,equilibrium points and stability...
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Theoretical calculation of the physico-chemical properties of 1-butyl-4-methylpyridinium based ionic liquids
PublikacjaACCEPTED MAIonic liquids (ILs) have attracted much attention for their unique physicochemical properties, which can be designed as needed by altering the ion combinations. Besides experimental work, numerous computational studies have been concerned with prediction of physical properties of ILs. The results of molecular dynamics simulations of ILs depend strongly on the proper force field parameterization. Classical force fields...
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DESIGN LOGICAL LINGUISTIC MODELS TO CALCULATE NECESSITY IN TRUCKS DURING AGRICULTURAL CARGOES LOGISTICS USING FUZZY LOGIC
Publikacja: The study is aimed to develop the logic-linguistic models to design a number of rules for the correct calculation of the vehicles needed, taking into account the technical, technological, and weather and climate conditions of the harvesting and transport complex. The article has shown that the construction of the design of logic-linguistic models was not performed earlier to solve the problem of the agro-industrial production...
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Interaction Design in Agile IT Projects
PublikacjaIn recent years, interactive systems, such as various types of software, online services or mobile applications, have become an integral part of everyday life. Interactive systems and digital services should be easy to use and provide a positive User Experience (UX). For this reason, interaction design has recently emerged as a distinct professional area of information technology (IT). Easy interaction and user experience (UX)...
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On possible applications of media described by fractional-order models in electromagnetic cloaking
PublikacjaThe purpose of this paper is to open a scientific discussion on possible applications of media described by fractional-order (FO) models (FOMs) in electromagnetic cloaking. A 2-D cloak based on active sources and the surface equivalence theorem is simulated. It employs a medium described by FOM in communication with sources cancelling the scattered field. A perfect electromagnetic active cloak is thereby demonstrated with the use...
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Condition-Based Monitoring of DC Motors Performed with Autoencoders
PublikacjaThis paper describes a condition-based monitoring system estimating DC motor degradation with the use of an autoencoder. Two methods of training the autoencoder are evaluated, namely backpropagation and extreme learning machines. The root mean square (RMS) error in the reconstruction of successive fragments of the measured DC motor angular-frequency signal, which is fed to the input of autoencoder, is used to determine the health...
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Improving Thermal Insulation Properties for Prefabricated Wall Components Made of Lightweight Aggregate Concrete with Open Structure
PublikacjaPorous concrete is commonly used in civil engineering due to its good thermal insulation properties in comparison with normal concrete and high compression strength in comparison with other building materials. An extremely porous concrete, called ‘lightweight aggregate concrete with open structure’ (LAC), is used in some German plants to produce prefabricated wall components. They are used mainly in hall buildings, e.g. supermarkets....
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Metoda diagnostyki cieplno-przepływowej turbin parowych wykorzystująca elementy algorytmów genetycznych
PublikacjaRozprawa doktorska poświęcona jest opisowi budowania metody diagnostyki cieplno-przepływowej z wykorzystaniem elementów algorytmów genetycznych. Do tworzenia założeń i algorytmów metody posłużono się przykładem funkcjonowania bloku elektrowni kondensacyjnej ze szczególnym uwzględnieniem układu łopatkowego turbiny parowej. Celem pracy jest zbudowanie metody diagnostyki cieplno-przepływowej. Zadaniem metody jest przeprowadzenie procesu...
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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublikacjaWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublikacjaWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublikacjaThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
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Molecular Design Using Selected Concentration Effects in Optically Activated Fluorescent Matrices
PublikacjaMolecular physics plays a pivotal role in various fields, including medicine, pharmaceuticals, and broader industrial applications. This study aims to enhance the methods for producing specific optically active materials with distinct spectroscopic properties at the molecular level, which are crucial for these sectors, while prioritizing human safety in both production and application. Forensic science, a significant socio-economic...
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Static electric and magnetic multipole susceptibilities for Dirac one-electron atoms in the ground state
PublikacjaWe present tabulated data for several families of static electric and magnetic multipole susceptibilities for hydrogenic atoms with nuclear charge numbers from the range $1\leq Z\leq137$. Atomic nuclei are assumed to be point-like and spinless. The susceptibilities considered include the multipole electric polarizabilities $\alpha_{\mathrm{E}L\to\mathrm{E}L}$ and magnetizabilities (magnetic susceptibilities) $\chi_{\mathrm{M}L\to\mathrm{M}L}$...
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Magnetic field mapping along a NV-rich nanodiamond-doped fiber
PublikacjaIntegration of NV−-rich diamond with optical fibers enables guiding quantum information on the spin state of the NV− color center. Diamond-functionalized optical fiber sensors have been demonstrated with impressive sub-nanotesla magnetic field sensitivities over localized magnetic field sources, but their potential for distributed sensing remains unexplored. The volumetric incorporation of diamonds into the optical fiber core allows...
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A Series of Novel 3D Coordination Polymers Based on the Quinoline-2,4-dicarboxylate Building Block and Lanthanide(III) Ions—Temperature Dependence Investigations
PublikacjaA series of novel 3D coordination polymers [Ln2(Qdca)3(H2O)x]yH2O (x = 3 or 4, y = 0–4) assembled from selected lanthanide ions (Ln(III) = Nd, Eu, Tb, and Er) and a non-explored quinoline- 2,4-dicarboxylate building block (Qdca2 = C11H5NO4 2) were prepared under hydrothermal conditions at temperatures of 100, 120, and 150 C. Generally, an increase in synthesis temperature resulted in structural transformations and the formation...
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Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces
PublikacjaDensity functional theory (DFT) is often used for simulating extended materials such as infinite crystals or surfaces, under periodic boundary conditions (PBCs). In such calculations, when the simulation cell has non-zero charge, electrical neutrality has to be imposed, and this is often done via a uniform background charge of opposite sign (“jellium”). This artificial neutralization does not occur in reality, where a different...
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Photoresponsive Amide-Based Derivatives of Azobenzene-4,4′-Dicarboxylic Acid—Experimental and Theoretical Studies
PublikacjaAzobenzene derivatives are one of the most important molecular switches for biological and material science applications. Although these systems represent a well-known group of compounds, there remains a need to identify the factors influencing their photochemical properties in order to design azobenzene-based technologies in a rational way. In this contribution, we describe the synthesis and characterization of two novel amides...
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Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublikacjaThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
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Identyfikacja i izolacja genu kodującego zaadaptowaną do zimna β-galaktozydazę Paracoccus sp. = Identification and izolation of the gene encoding cold-active β-galactosidase from paracoccus sp.
PublikacjaZaprezentowane badania były prowadzone u eehi wyizolowania ze środo¬wiska organizmu psychrofilnego, zdolnego do hydrolizy laktozy w niskiej tempe¬raturze, oraz zidentyfikowania genu kodującego (i-galaktozydazę zaadaptowaną do zimna.Poszukiwan gen został w izolowany z psychrofilnego szczepu autarkicz¬nego Paracoccus sp. 321). Na podstawie sekwencji nukleotydowej genu kodują¬cego fS-galaktozdaze ustalono skład aminokwasów),...
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Chromatographic behavior of a new hybrid type RP material containing silica bonded 1,3-alternate 25,27-bis-[cyanopropyloxy]-26,28-bis-[3-propyloxy]-calix[4]arene
PublikacjaA novel 1,3-alternate 25,27-bis-[cyanopropyloxy]-26,28-bis-[3-propyloxy]-calix[4]arene-bonded silica gel stationary phase (CalixPrCN) was prepared and it's structure was confirmed by ATR-FTIR spectroscopy and elemental analysis. The CalixPrCN phase was characterized in terms of their surface coverage, hydrophobic selectivity, aromatic selectivity, shape selectivity, hydrogen bonding capacity, residue metal content, and silanol...
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Cooperative control in production and logistics
PublikacjaClassical applications of control engineering and information and communication technology (ICT) in production and logistics are often done in a rigid, centralized and hierarchical way. These inflexible approaches are typically not able to cope with the complexities of the manufacturing environment, such as the instabilities, uncertainties and abrupt changes caused by internal and external disturbances, or a large number and variety...
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Challenges in determination of pesticides from various chemical groups in fruits and vegetables applying QuEChERS method
PublikacjaPesticides are a large group of compounds with different physical and chemical properties, which place some of them among the most toxic, environmentally stable, and mobile substances. Nevertheless, their number, use, and application are continuously expanding. A consequence of their use is the possible presence of residues in treated food products. To protect consumers from exposure to unacceptable levels of pesticides Maximum...
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Novel application of terminal restriction fragments length polymorphism method (t-RFLP) for identification of six clinically important Candida sp.
PublikacjaTerminal restriction fragments length polymorphism method (t-RFLP) is a modified classical RFLP method. The main difference is based on carrying out PCR using a fluorescently labeled primer or primers. The result of such modification is that after digestion of amplicons only terminal fragments of PCR product (containing fluorescent dye) are visualized. T-RFLP method has found application in environmental microbiology and epidemiology....
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Dominant Pathways of Adenosyl Radical-Induced DNA Damage Revealed by QM/MM Metadynamics
PublikacjaBrominated nucleobases sensitize double stranded DNA to hydrated electrons, one of the dominant genotoxic species produced in hypoxic cancer cells during radiotherapy. Such radiosensitizers can therefore be administered locally to enhance treatment efficiency within the solid tumor while protecting the neighboring tissue. When a solvated electron attaches to 8-bromoadenosine, a potential sensitizer, the dissociation of bromide...
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Phase I and phase II metabolism simulation of antitumor-active 2-hydroxyacridinone with electrochemistry coupled on-line with mass spectrometry.
PublikacjaHere, we report the metabolic profile and the results of associated metabolic studies of 2-hydroxyacridinone (2-OH-AC), the reference compound for antitumor-active imidazo- and triazoloacridinones. Electrochemistry coupled with mass spectrometry was applied to simulate the general oxidative metabolism of 2-OH-AC for the first time. The reactivity of 2-OH-AC products to biomolecules was also examined. The usefulness of the electrochemistry...
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Experience based knowledge representation for Internet of Things and Cyber Physical Systems with case studies
PublikacjaCyber Physical Systems and Internet of Things have grown significant attention from industry and academia during the past decade. The main reason behind this interest is the capabilities of such technologies to revolutionize human life since they appear as seamlessly integrating classical networks, networked objects and people to create more efficient environments. However, enhancing these technologies with intelligent skills becomes...
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Detection and time/frequency analysis of electric fields in the ground
PublikacjaThis paper sets out to detect and characterize electric fields in the ground (such as stray current fields) using a tandem time/frequency method of signal analysis. Results were obtained from investigations performed in the presence of a generated electric field with controlled variable characteristics, and in the presence of an electric field generated by a tramline. The analysis of measurement registers was performed using Short‐Time...
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Polygons vs. clumps of discs: A numerical study of the influence of grain shape on the mechanical behaviour of granular materials
PublikacjaWe performed a series of numerical vertical compression tests on assemblies 01 20 granular material using a Discrete Element code and studied the results with regard to the grain shape. The samples consist of 5000 grains made from either 3 overlapping discs (clumps - grains with concavities) or six-edged polygons (convex grains). These two grain type have similar external envelope, which is a fund ion of a geometrical parameter...
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Manganese(III) Promoted Cyclization of N-alkenyl-N-(2-hydroxyethyl) amides to Iso-Oxacepham Potent β-Lactamase Inhibitors
PublikacjaBackground: β-Lactams are still a subject of interest of organic chemists. The main reason for this interest is due to their application as a chemotherapeutic. β-Lactam antibiotics are still the most commonly used drugs in bacterial infections. Method: Methods using 4-exo-trig radical cyclization leading to β-lactams are an alternative to classical Staudinger`s β-Lactams formation. We prepared N-alkenyl-N-(2-hydroxyethyl)amides...
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Novel approach to modeling spectral-domain optical coherence tomography with Monte Carlo method
PublikacjaNumerical modeling Optical Coherence Tomography (OCT) systems is needed for optical setup optimization, development of new signal processing methods and assessment of impact of different physical phenomena inside the sample on OCT signal. The Monte Carlo method has been often used for modeling Optical Coherence Tomography, as it is a well established tool for simulating light propagation in scattering media. However, in this method...
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Distributed graph searching with a sense of direction
PublikacjaIn this work we consider the edge searching problem for vertex-weighted graphs with arbitrarily fast and invisible fugitive. The weight function w provides for each vertex v the minimum number of searchers required to guard v, i.e., the fugitive may not pass through v without being detected only if at least w(v) searchers are present at v. This problem is a generalization of the classical edge searching problem, in which one has...
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Graph Neural Networks and Structural Information on Ionic Liquids: A Cheminformatics Study on Molecular Physicochemical Property Prediction
PublikacjaIonic liquids (ILs) provide a promising solution in many industrial applications, such as solvents, absorbents, electrolytes, catalysts, lubricants, and many others. However, due to the enormous variety of their structures, uncovering or designing those with optimal attributes requires expensive and exhaustive simulations and experiments. For these reasons, searching for an efficient theoretical tool for finding the relationship...
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Discrete identification of continuous non-linear and non-stationary dynamical systems that is insensitive to noise correlation and measurement outliers
PublikacjaThe paper uses specific parameter estimation methods to identify the coefficients of continuous-time models represented by linear and non-linear ordinary differential equations. The necessary approximation of such systems in discrete time in the form of utility models is achieved by the use of properly tuned `integrating filters' of the FIR type. The resulting discrete-time descriptions retain the original continuous parameterization...
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Transport of dangerous goods by rail, and threats to the subsoil of the railway surface in the event of a disaster
PublikacjaIn Poland, in 2020, the mass of dangerous goods (loads) transported by rail was 26 151.06 thousand tone. This translated into the performance of 8 899 691.89 thousand tone - km of transport performance. In 2020, these figures accounted for 11.72% of the weight of goods transported by rail. The situation is similar in other countries around the world. With such a large volume of transport of dangerous...
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A Single-Carrier-Based Pulse-Width Modulation Template for Cascaded H-Bridge Multilevel Inverters
PublikacjaMultiplicity of the triangular carrier signals is a criterion for the extension of sinusoidal pulsewidth modulation, SPWM, to a number of output voltage levels per phase-leg in cascaded H-bridge (CHB) multilevel inverter (MLI). Considering medium and high voltage applications where appreciable number of output voltage levels from CHB MLI is needed, commensurate high number of carrier signals in either classical level- or phase-shifted...
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Compact High Efficiency and Zero-Emission Gas-Fired Power Plant with Oxy-Combustion and Carbon Capture
PublikacjaReduction of greenhouse gases emissions is a key challenge for the power generation industry, requiring the implementation of new designs and methods of electricity generation. This article presents a design solution for a novel thermodynamic cycle with two new devices—namely, a wet combustion chamber and a spray-ejector condenser. In the proposed cycle, high temperature occurs in the combustion chamber because of fuel combustion...
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Multi-layered mineral glass units used as viewport elements of underwater ship structures
PublikacjaIn the paper, Authors deals with viewport elements of underwater marine constructions. If a single-plate viewport constructions are considered, big thicknesses of the glass plate are required to resist the pressure. To build the viewports from the commercially accessible glass panes, multi-layered glass units are proposed in the paper. Numerical calculations are presented, summarized and compared with experimental tests. Focusing...
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Selected Aspects of 3D Printing for Emergency Replacement of Structural Elements
PublikacjaThe paper presents a synthetic characterization of modern methods of manufacturing or regenerating machine elements. Considered methods are machining and additive methods, in particular 3D printing in the FDM/FFF technique. For the study, the authors made samples of the holder bracket using selected methods. Samples made by machining operations, 3D printing with various filling were tested. The paper contains a technical and economic...
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Compensation Topologies in IPT Systems: Standards, Requirements, Classification, Analysis, Comparison and Application
PublikacjaWireless power transfer devices are becoming more relevant and widespread. Therefore, an article is devoted to a review, analysis and comparison of compensation topologies for an inductive power transfer. A new classification of topologies is developed. A lot of attention is paid to the problems of the physical fundamentals of compensation work, standards, safety, and five main topology requirements. It is determined, that topologies...
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TMSCl Promoted Acylation of Amines with 5-(α-amino- α'-hydroxy)methylene Meldrum's Acids - Elucidation of Mechanism.
PublikacjaRecently we have observed accelerating influence of trimethyl silyl chloride addition on the rate of the reactions of 5-(α-amino- α'-hydroxy)methylene Meldrum's Acids with amines, particularly in the case of highly basic amines. However the nature of the aforementioned process remain unexplained. In proposed communication we wish to report insightful elucidation of this mechanism. The reaction under investigation involves simply...
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Efficient production of Staphylococcus simulans lysostaphin in a benchtop bioreactor by recombinant Escherichia coli.
PublikacjaLysostaphin is an enzyme with bactericidal activity against Staphylococcus aureus and other staphylococcal species. In spite of many advantages and promising results of preliminary research, the enzyme is still not widely used in medicine, veterinary or as a food preservative. One of the most important factors limiting application of the enzyme in clinical or technological practice is the high costs of its production. In the present...
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Deterministic versus stochastic modelling of unsaturated flow in a sandy field soil based on dual tracer breakthrough data
PublikacjaThe 216 km2 Neuenhagen Millcreeck catchment can be characterized as a drought sensitive landscape in NE Germany. It is therefore a fundamental human interest to understand how water that fell as precipitation moves through the unsaturated soils and recharges groundwater. Additionally, a better knowledge of nutrient transport from soil to groundwater is important also, especially in landscapes with light sandy soils. For a better...
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Obliczanie składowej OEE przy wielu operacjach technologicznych
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Możliwości zastosowań, potencjalne źródła oraz ewolucja technologiczna sposobu otrzymywania trehalozy ze szczególnym uwzględnieniem enzymu syntazy trehalozy [EC 5.4.99.16]
PublikacjaJedna z wiodących gałęzi współczesnej biotechnologii opiera się na produkcji białek – przede wszystkim enzymów. Są one powszechnie wykorzystywane: od przemysłu chemicznego poprzez przemysł spożywczy aż po medycynę i życie codzienne (czy ktoś wyobraża sobie w dzisiejszych czasach proszek do prania „bez enzymu”). Przed rozwojem nowoczesnych metod biologii molekularnej i inżynierii genetycznej pozyskiwano interesujące substancje z...
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Metoda prognozowania mocy skrawania przy przecinaniu piłami polskiego drewna sosnowego z uwzględnieniem wiązkości materiału obrabianego
PublikacjaW pracy zostały przedstawione wartości właściwości materiałowych tj.: wiązkość R oraz naprężenia tnące w strefie skrawania τy, dla drewna sosnowego (Pinus sylvestris L.). Badane próbki drewna pochodziły z czterech Krain Przyrodniczo - Leśnych Polski: Bałtyckiej Krainy Przyrodniczo - Leśnej (kraina A), Karpackiej Krainy Przyrodniczo - Leśnej (kraina B), Małopolskiej Krainy Przyrodniczo - Leśnej (kraina C) oraz Wielkopolsko - Pomorskiej...