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Wyniki wyszukiwania dla: FIRST-PRINCIPLES CALCULATIONS
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Planning of the green road system as an element of spatial management in suburbs and small towns
PublikacjaThe premise for the development of sustainable forms of road infrastructure in small towns is the appropriate plan at an early stage or modifi cation in the case of existing spaces. A multi-directional approach is extremely important, which takes into account the specifi city of the regional (country) road system, availability, and capacity of traffi c network, but also social and environmental factors. Effi cient management...
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Interpretation and modeling of emotions in the management of autonomous robots using a control paradigm based on a scheduling variable
PublikacjaThe paper presents a technical introduction to psychological theories of emotions. It highlights a usable ideaimplemented in a number of recently developed computational systems of emotions, and the hypothesis thatemotion can play the role of a scheduling variable in controlling autonomous robots. In the main part ofthis study, we outline our own computational system of emotion – xEmotion – designed as a key structuralelement in...
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The Use of Organic Coagulants in the Primary Precipitation Process at Wastewater Treatment Plants
PublikacjaMeasurements for determining the effect of chemically enhanced primary treatment (CEPT) on the efficiency of pollutant removal from wastewater were carried out using conventional inorganic coagulants PIX113 with polymer A110 (Kemipol, Police, Poland) and unconventional cationic organic coagulants Cofloc (Attana, Coalville, UK) C29510 (Kemipol, Police, Poland) and Sedifloc 575 (3F Chimica, Sandrigo, Italy). The average removal efficiency...
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Tools for road infrastructure safety management in Poland
PublikacjaThe objective of road safety infrastructure management is to ensure that when roads are planned, designed, built and used road risks can be systematically identified, assessed, removed and mitigated. There are a number of approaches to road safety management. European Union Directive 2008/96/EC requires EU member states to use four basic tools of road safety infrastructure management. An overview of the methods in these countries...
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A rapid and sensitive method for the quantitative analysis of ibuprofen and its metabolites in equine urine samples by gas chromatography-tandem mass spectrometry
PublikacjaIbuprofen is widely used in human and veterinary medicine for the treatment of chronic pain as well as rheumatic and musculoskeletal disorders. However, t he anal- gesic and anti-inflammatory properties of Ibuprofen have contributed to frequent drug abuse in equestr ian s ports. A sensitive and rapid gas chromatography with tandem mass spectrometry based method with a simple liquid-liquid extraction and deriva- tization requiring...
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Pyrolysis of Waste Biomass: Technical and Process Achievements, and Future Development-A Review
PublikacjaPyrolysis has been applied in the human economy for many years, and it has become a significant alternative to the production of chemical compounds, including biofuels. The article fo-cuses mostly on recent achievements in the technical and processing aspects of pyrolysis. The aim of the review is to present the latest research on the process of waste biomass pyrolysis to fuel production. The paper describes the mechanisms of...
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Bioassays as one of the Green Chemistry tools for assessing environmental quality: A review
PublikacjaFor centuries, mankind has contributed to irreversible environmental changes, but due to the modern science of recent decades, scientists are able to assess the scale of this impact. The introduction of laws and standards to ensure environmental cleanliness requires comprehensive environmental monitoring, which should also meet the requirements of Green Chemistry. The broad spectrum of Green Chemistry principle applications should...
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Driverless Mobility: The Impact on Metropolitan Spatial Structures
PublikacjaDiffusion of emerging technologies is following the need of solving particular problems. Each innovation produce also some undesirable consequences. Many examples from the past have shown that along with the spread of each technology their side effects are accumulating until the level they need to be solved. One of the examples is automobile, which advantages and disadvantages were already described including its spatial consequences....
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Mechanical Properties of Additively Manufactured Polymeric Materials—PLA and PETG—For Biomechanical Applications
PublikacjaThe study presented herein concerns the mechanical properties of two common polymers for potential biomedical applications, PLA and PETG, processed through fused filament fabrication (FFF)—Material Extrusion (ME). For the uniaxial tension tests carried out, two printing orientations—XY (Horizontal, H) and YZ (Vertical, V)—were considered according to the general principles for part positioning, coordinates, and orientation typically...
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The energy concept of money
PublikacjaPurpose: This paper aims to provide the literature review seeking an answer whether energy can be used as a universal equivalent instead of money. Methodology: The author conducted a review of available literature and data sources related to the money theory and energy concept of money. Findings: It was found that the definition of energy as a general equivalent has a contextual and dynamic nature, and this field’s consolidation...
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Compatibility of Crude Oil Blends─Processing Issues Related to Asphaltene Precipitation, Methods of Instability Prediction─A Review
PublikacjaProcessing crude oil of variable composition, especially due to the need to process crude oil blends obtained from various sources, presents a tremendous process challenge. This is mainly due to the destabilization of the colloidal system manifested mostly by the precipitation of the asphaltene fraction. The precipitation of asphaltenes from crude oil is a serious problem during extraction, transport, and processing. In the latter...
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Deep eutectic solvents – A new platform in membrane fabrication and membrane-assisted technologies
PublikacjaDeep eutectic solvents (DESs) are a new class of solvents that can offset some of the primary drawbacks of typical solvents and ionic liquids (ILs). Since DESs fall into the guidelines of “Twelve Principles of Green Chemistry”, their implementation in several types of applications has exponentially increased over the last years. The usage of DESs has been directed to the designing, manufacture and purification of new materials...
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Aquaponics Based Artificial Biosphere Included in Architecture: From Mitigation of Negative Impacts to Positive Added Values of Urban Spatial Structures on Local, Regional and Global Scale
PublikacjaTechnologies may appear faster than spatial planning can afford it. Alt hough applying new technologies solve particular problems, it may also create new ones. Many negative consequences of implementing new technologies are visible a fter years or decades – they accumulate until the need of solving them. According to The Hannover Principles (McDonough & Braungart 2013) one should, by example not think about...
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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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Recent developments and future trends in solid phase microextraction techniques towards green analytical chemistry
PublikacjaSolid phase microextraction find increasing applications in the sample preparation step before chromatographic determination of analytes in samples with a complex composition. These techniques allow for integrating several operations, such as sample collection, extraction, analyte enrichment above the detection limit of a given measuring instrument and the isolation of analytes from sample matrix. In this work the information about...
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Novel fast analytical method for indirect determination of MCPD fatty acid esters in edible oils and fats based on simultaneous extraction and derivatization
PublikacjaA novel method for indirect determination of MCPD esters levels in lipid samples has been developed. The method is based on combination of extraction and derivatisation in the same sample preparation step. It is achieved by the application of diethyl ether as extraction solvent for isolation of released from esterified forms analytes from water phase and dilution solvent for solid PBA – derivatisation agent. It is a noteworthy...
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Modeling of lapping plate wear and conditioning in single-sided lapping
PublikacjaIn order to achieve higher quality on worked surfaces with lower roughness, very high accuracy of shape and dimensions it is crucial to improve conventional finishing technologies and to develop new working principles. Single-sided lapping is one of the most effective planarization technologies and it is determined by a number of factors and boundary conditions. The most significant influence over a dimensional and profile accuracy,...
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Authenticity of Architectural Heritage in a Rebuilt City. Comments to Vaclav Havel’s Impression after His Visit in Gdansk in 2005
PublikacjaThere is no doubt that authenticity is a cardinal feature of architectural heritage and should be protected in the same way as historical and cultural value of monuments or their integrity. Sometimes, one decides to reconstruct a destroyed historical building due to important emotional, scientific, artistic or political reasons (e.g. the Zwinger Palace in Dresden or the Royal Castle in Warsaw). However, the solution which should...
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Towards High-Value Datasets Determination for Data-Driven Development: A Systematic Literature Review
PublikacjaOpen government data (OGD) is seen as a political and socio-economic phenomenon that promises to promote civic engagement and stimulate public sector innovations in various areas of public life. To bring the expected benefits, data must be reused and transformed into value-added products or services. This, in turn, sets another precondition for data that are expected to not only be available and comply with open data principles,...
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CROSS SECTIONS CALCULATIONS FOR ELECTRON SCATTERING FROM RHODANINE AND CYANOACETIC ACID
PublikacjaCross sections for electron-impact ionization and for elastic electron scattering for rhodanine (C3H3NOS2) and cyanoacetic acid (C3H3NO2) have been calculated in wide impinging electron energy range.
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Coupled cluster and DFT calculations of 14N nuclear quadrupole coupling constants
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Numerical calculations of behaviour of ship double-bottom structure during grounding
PublikacjaIdeą projektu CORET jest dodanie do obecnej konstrukcji dna podwójnego statku specjalnych powłok polimerowo-betonowych w celu zwiększenia odporności na rozszczelnienie podczas kolizji, czy wejścia na mieliznę. Aby poprawnie zaprojektować te bariery ochronne konieczne jest przeprowadzenie symulacji numerycznej. Tworzenie modelu numerycznego konstrukcji podczas kolizji jest bardzo złożone i wymaga wykonania symulacji pomocniczych...
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Relativistic calculations of X-ray photoelectron spectra and the accuracy of the IOTC method*
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Cross sections for electron scattering from furan molecules; measurements and calculations
PublikacjaZmierzono i policzono przekroje czynne (TCS) na rozproszenie elektronów na drobinach furanu (C4H4O). Całkowite przekroje czynne zmierzono metodą transmisyjną w zakresie energii 0.6 - 400 eV. Sprężysty i jonizacyjny przekrój czyny obliczono dla energii zderzenia do 4 keV; powyżej 70 eV suma obu przekrojów pozostaje w dobrej zgodności z mierzonymi wartościami TCS.
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Model research and numerical calculations of the buoy for capturing of the sea-waves energy
Publikacjaw pracy przedstawiono konstrukcję i zasadę działania modelu 1:5 boi do pozyskiwania energii fal morskich oraz wyniki badań eksperymentalnych prowadzonych w dużym basenie w Centrum techniki Okrętowej w Gdańsku.Ponadto przedstawiono numeryczny model obliczeniowy i wybrane wyniki symulacji zachowania się boi na fali regularnej.
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ELECTRON-IMPACT IONIZATION CROSS SECTIONS CALCULATIONS FOR PURINE AND PYRIMIDINE MOLECULES
PublikacjaCross sections for electron-impact ionization of purine and pyrimidine molecules have been calculated using binary-encounter-Bethe method for electron energies ranging from the ionization threshold up to 5 keV. Ionization cross section for purine molecules is 1.4 times higher than for pyrimidine molecules. Acceptable agreement between experimental and theoretical ionization data for pyrimidine molecule has been found.
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Designing drainage systems – possible application of advanced calculations and hydrodynamical modeling
PublikacjaNowadays we can observe a faster development of drainage systems than ever. This gives us an opportunity to de- sign more efficient systems that can cope with the rapid growth of cities and, what comes with it, impervious surfaces. Here the question arises, whether traditional methods used in drainage system design are potent enough to cope with the emerging prob- lems and difficulties. In this paper we will make...
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Cross section calculations for electron scattering from platinum chemotherapeutic compounds
PublikacjaCross section for electron impact ionization of carboplatin, C6H12N2O4Pt, and oxaliplatin, C8H14N2O4Pt, have been calculated within binary-encounter-Bethe model for energies from the ionization threshold up to 5000 eV. Cross section for elastic electron scattering from carboplatin and oxaliplatin molecules have also been derived using independent atom method (IAM) and additivity rule for collision energies ranging from 50 eV to...
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Calculations of labyrinth seals with and without diagnostic extraction in fluid-flow machines
PublikacjaLabyrinth seals are essential components of steam turbine unit constructions. Two types of labyrinth seals can be named, the first of which is the seal without diagnostic steam extraction, and the second – with extraction. The distribution of flow parameters along the packing is affected remarkably by the average seal clearance. The presence of diagnostic extraction leads to the equation system which is determinable and can be...
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Electron scattering from hexafluoroacetone molecules: cross section measurements and calculations
PublikacjaZmierzono absolutne całkowite przekroje czynne na zderzenie elektronów z drobinami hexafluoroacetonu (HFA). Pomiary przeprowadzono dla energii zderzenia od 1 do 400 eV. Zależność energetyczna przekroju czynnego wykazała obecność struktur związanych z procesami o charakterze rezonansowym. Wykonano obliczenia sprężystego i jonizacyjnego przekroju czynnego dla drobin HFA i acetonu. Suma obliczonych przekrojów wykazuje dużą zgodność...
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Cross section calculations for electron scattering from DNA and RNA bases.
PublikacjaPoliczono różniczkowy i scałkowany przekrój czynny na rozproszenie sprężyste elektronów (w przybliżeniu atomów niezależnych) na uracylu, cytozynie, guaninie, adeninie i tyminie w zakresie energii od 50-4000 eV. W przybliżeniu modelu BEB policzono również przekroje czynne na jonizację tych molekuł.
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The ab initio calculations of single nitrogen-vacancy defect center in diamond.
PublikacjaW artykule zaprezentowano rezultaty kwantowomechanicznych obliczeń ''ab initio'' struktury elektronowej defektu azot-wakans w diamencie. Do obliczeń wykorzystano model złożony z 63 atomów. Otrzymane wyniki zostały porównane z wcześniejszymi pracami teoretycznymi i doświadczalnymi.
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Law regulations against physical calculations - problems in water and sewage management
PublikacjaW pracy zostały opisane przykłady trzech typów problemów w zakresie gospodarki wodno-ściekowej, z jakimi można spotkać się w związku z wejściem w życie przepisów uwzględniających obowiązujące w tej dziedzinie dyrektywy Unii Europejskiej. Są to m.in. problemy ze zbyt szeroką możliwością interpretacji pewnych zapisów, problemy związane z nieuwzględnianiem w przepisach praw fizyki, a także brak ustawowej regulacji pewnych zagadnień.
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Examination of cyp51A and cyp51B expression level of the first Polish azole resistant clinical Aspergillus fumigatus isolate
PublikacjaAspergillus fumigatus is one of the most prevalent airborne fungal pathogens causing infections worldwide. Most A. fumigatus strains are susceptible to azoles, which are administered as the first line therapeutics. However, during last decade the acquired resistance to triazoles by these species has been described. There is a number of publications concerning the examination of clinical A. fumigatus strains from different countries,...
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A study about daylighting knowledge and education in Europe. Results from the first phase of the DAYKE project
PublikacjaThis paper presents selected results from the first stage of DAYKE (Daylight Knowledge in Europe), a 3- phase project that investigates the knowledge on daylighting in buildings among architecture students and practitioners across Europe. Subjective judgements from 561 students from 8 architecture universities in the EU, collected through two surveys in 2018. The key findings are: (i) the spatial distribution of comfort and mood...
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Singlet oxygen in the removal of organic pollutants: An updated review on the degradation pathways based on mass spectrometry and DFT calculations
PublikacjaThe degradation of pollutants by a non-radical pathway involving singlet oxygen (1O2) is highly relevant in advanced oxidation processes. Photosensitizers, modified photocatalysts, and activated persulfates can generate highly selective 1O2 in the medium. The selective reaction of 1O2 with organic pollutants results in the evolution of different intermediate products. While these products can be identified using mass spectrometry...
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First natural transverse frequency of truncated cone and wedge beams
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Meteorological study of the first observation of red sprites from Poland
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Implementing decisional trust: a first approach for smart reliable systems
PublikacjaIn this article, we introduce the necessary elements that must be integrated in order to achieve a decisional technology that is trustworthy. Thus, we refer to such technology as decisional trust. For us, decisional trust can be achieved through the use of elements such as the decisional DNA, reflexive ontologies, and security models; and therefore, we present in this article a framework that was used for the implementation of...
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The first order phase transition and superconductivity in BaNi2As2 single crystals
PublikacjaDyskutowane są synteza i właściwości fizyczne monokryształów BaNi2As2. BaNi2As2 krystalizuje w strukturze ThCr2Si2, a stałe sieciowe wynoszą odpowiednio: a = 4.112(4) A i c = 11.54(2) A. Pomiar oporu elektrycznego, zmiennopolowej podatności magnetycznej, ciepła właściwego, pokazują objętościowy efekt nadprzewodzący z Tc = 0.7 K.
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On the derivative of the Legendre function of the first kind with respect to its degree
PublikacjaPokazano, że pochodna po indeksie funkcji Legendre'a pierwszego rodzaju, obliczona dla całkowitej wartości indeksu, może być wyrażona przez funkcje elementarne. Skonstruowano kilka jawnych reprezentacji tej pochodnej. Zaprezentowano przykłady zastosowań otrzymanych wzorów.
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Generalized solutions of first order partial differential functional inequalities
PublikacjaW pracy rozważa się zagadnienia początkowo brzegowe dla nieliniowych równań różniczkowo funkcyjnych cząstkowych pierwszego rzędu. Podano dowód jednoznaczności rozwiązań uogólnionych. Oparty jest on na twierdzeniu porównawczym dla nierówności różniczkowo funkcyjnych w sensie Caratheodory'ego. Prezentowane jest twierdzenie o uogólnionych rozwiązaniach nierówności różniczkowo funkcyjnych.
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First-order impulsive ordinary differential equations with advanced arguments
PublikacjaPraca dotyczy problemów istnienia rozwiązań dla równań różniczkowych z impulsami i nieliniowymi warunkami brzegowymi. Są to równania z argumentami wyprzedzonymi. Podano warunki dostateczne na istnienie rozwiązań. W pracy są również dyskutowane nierówności różniczkowe z impulsami. Podano też przykłady ilustrujące otrzymane wyniki.
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A Criterion for Conditional Instability by the First Approximation for Solutions of Differential Systems
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First bite syndrome after parotidectomy: a single-centre experience
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Detecting the medieval cod trade: a new method and first results
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Substituent Effect in the First Excited Singlet State of Monosubstituted Benzenes
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The First Report on Hybrid NOTES Adjustable Gastric Banding in Human
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The birth of the first child as a positive event in the lives of young parents
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India’s ‘Neighbourhood First’ policy and the Belt & Road Initiative (BRI)
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