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Some integrals and series involving the Gegenbauer polynomials and the Legendre functions on the cut (-1,1)
PublicationZaprezentowano metode obliczenia dwóch całek oznaczonych zawierających wielomiany Gegenbauera. Wynik wykorzystano do znalezienia sum czterech szeregów o wyrazach zawierających wielomiany Gegenbauera oraz funkcje Legendre'a (pierwszego lub drugiego rodzaju) na odcinku (-1,1).
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Application of sliding switching functions in backstepping based speed observer of induction machine
PublicationThe paper presents an analysis of the speed observer which is based on the backstepping and sliding mode approach. The speed observer structure is based on the extended mathematical model of an induction machine. The observer structure is based on the measured phase stator currents and transformed to ( αβ ) coordinate system. The stator voltage vector components are treated as known values. Additionally, such an observer structure...
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ANALYSIS OF POSSIBILITIES FOR THE USE OF VOLUME-DELAY FUNCTIONS IN THE PLANNING MODULE OF THE TRISTAR SYSTEM
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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublicationWe extend our recently developed quantum-mechanical/molecular mechanics (QM/MM) approach [Dziedzic et al., J. Chem. Phys. 145, 124106 (2016)] to enable in situ optimization of the localized orbitals. The quantum subsystem is described with ONETEP linear-scaling density functional theory and the classical subsystem – with the AMOEBA polarizable force field. The two subsystems interact via multipolar electrostatics and are fully...
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ANALYSIS OF POSSIBILITIES FOR THE USE OF VOLUME-DELAY FUNCTIONS IN THE PLANNING MODULE OF THE TRISTAR SYSTEM
PublicationTravel time is a measure commonly used for traffic flow modelling and traffic control. It also helps to evaluate the quality of traffic control systems in urban areas. Traffic control systems that use traffic models to predict changes and disruptions in vehicle flows have to use vehicle speed-prediction models. Travel time estimation studies the effects of traffic volumes on a street section at an average speed. The TRISTAR Integrated...
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Modeling of pharmaceuticals mixtures toxicity with deviation ratio and best-fit functions models
PublicationThe present study deals with assessment of ecotoxicological parameters of 9 drugs (diclofenac (sodium salt), oxytetracycline hydrochloride, fluoxetine hydrochloride, chloramphenicol, ketoprofen, progesterone, estrone, androstenedione and gemfibrozil), present in the environmental compartments at specific concentration levels, and theirmutual combinations by couples against Microtox® and XenoScreen YES/YAS® bioassays. As the quantitative...
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Functional Polymorphism in the Interleukin 6 (IL6) Gene with Respect to Depression Induced in the Course of Interferon-α and Ribavirin Treatment in Chronic Hepatitis Patients
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Comparative Proteomic Profiling of Ectosomes Derived from Thyroid Carcinoma and Normal Thyroid Cells Uncovers Multiple Proteins with Functional Implications in Cancer
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Functional Properties and Antioxidant Activity of Morus alba L. Leaves var. Zolwinska Wielkolistna (WML-P)—The Effect of Controlled Conditioning Process
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Triazoloacridone C-1305 abrogates the restriction checkpoint in cells lacking functional p53 and promotes their accumulation in the G2/M phase of the cell cycle
PublicationTriazoloakrydon C-1305, nowy inhibitor topoizomerazy II, wykazuje wysoką aktywość cytotoksyczną wobec komórek wielu typów nowotworów. Komórki mysie pozbawione genu PARP-1 wykazywały nadwrażliwość na działanie tego związku. W pracy testowaliśmy działanie związku wobec dwóch różnych komóek nowotworowych różniących się statusem p53: komórkami białaczki myelocytarnej HL-60 i raka sutka MCF-7. Wykazaliśmy, że inkubacja ze związkiem...
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation
PublicationHydrogen production from methanol decomposition to syngas (H2 + CO) is a promising alternative route for clean energy transition. One major challenge is related to the quest for stable, cost-effective, and selective catalysts operating below 400 °C. We illustrate an investigation of the surface reactivity of a Ni3Sn4 catalyst working at 250 °C, by combining density functional theory, operando X-ray absorption spectroscopy, and high-resolution...
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Road Transport of High Consequence Dangerous Goods—Assessment of Terrorist Threat (Case Study)
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Consumer willingness to pay a price premium for ecological goods: a case study from Ukraine
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Modification and Optimization of the United-Residue (UNRES) Potential Energy Function for Canonical Simulations. I. Temperature Dependence of the Effective Energy Function and Tests of the Optimization Method with Single Training Proteins
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Theoretical and computational analysis of nonlinear fractional integro-differential equations via collocation method
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Fractional neutron point kinetics equations for nuclear reactor dynamics – Numerical solution investigations
PublicationThis paper presents results concerning numerical solutions to a fractional neutron point kinetics model for a nuclear reactor. The paper discusses and expands on results presented in (Espinosa-Paredes et al., 2011). The fractional neutron point kinetics model with six groups of delayed neutron precursors was developed and a numerical solution using the Edwards’ method was proposed (Edwards et al., 2002). The mathematical model...
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Numerical Investigation of Nuclear Reactor Kinetic and Heat Transfer Fractional Model with Temperature Feedback
PublicationAbstract—In the paper, the numerical results concerning the kinetics and proposed heat exchange models in nuclear reactor based on fractional calculus are presented for typical inputs. Two fractional models are proposed and compared with the model based on ordinary derivative. The first fractional model is based on one of the generalized Cattaneo equations. The second one is based on replacing the ordinary to fractional order of...
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Initial value problems for neutral fractional differential equations involving a Riemann-Liouville derivative
PublicationBadano równania neutralne typu ułamkowego z odchylonym argumentem. Podano warunki dostateczne na istnienie jednego rozwiązania.
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Passive Variable Fractional Delay Filter Design using Distributed Maximal Flatness Method
PublicationW pracy przedstawiono nową metodę projektowania pasywnych filtrów ułakowoopóźniających opartą na metodzie rozproszonej maksymalnej płaskości. W zaproponowane podejście jest uogólnieniem najbardziej popularnej metody projektowania filtrów maksymalnie płaskich - metody projektowania filtrów maksymalnie płaskich. Filtr maksymalnie płaski cechuje bardzo dobra jakość jedynie w wąskim paśmie wokół częstotliwości zerowej, ale jego istotną...
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About the Noether’s theorem for fractional Lagrangian systems and a generalization of the classical Jost method of proof
PublicationRecently, the fractional Noether's theorem derived by G. Frederico and D.F.M. Torres in [10] was proved to be wrong by R.A.C. Ferreira and A.B. Malinowska in (see [7]) using a counterexample and doubts are stated about the validity of other Noether's type Theorem, in particular ([9],Theorem 32). However, the counterexample does not explain why and where the proof given in [10] does not work. In this paper, we make a detailed analysis...
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Screening stability, thermochemistry, and chemical kinetics of 3-hydroxybutanoic acid as a bifunctional biodiesel additive
PublicationThe thermo-kinetic aspects of 3-hydroxybutyric acid (3-HBA) pyrolysis in the gas phase were investigated using density functional theory (DFT), specifically the M06-2X theoretical level in conjunction with the cc-pVTZ basis set. The obtained data were compared with benchmark CBS-QB3 results. The degradation mechanism was divided into 16 pathways, comprising 6 complex fissions and 10 barrierless reactions. Energy profiles were calculated...
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Two-Rate Based Low-Complexity Variable Fractional-Delay FIR Filter Structures
PublicationThis paper considers two-rate based structures for variable fractional-delay (VFD) finite-length impulse response (FIR) filters. They are single-rate structures but derived through a two-rate approach. The basic structure considered hitherto utilizes a regular half-band (HB) linear-phase filter and the Farrow structure with linear-phase subfilters. Especially for wide-band specifications, this structure is computationally efficient...
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Approximation of Fractional Order Dynamic Systems Using Elman, GRU and LSTM Neural Networks
PublicationIn the paper, authors explore the possibility of using the recurrent neural networks (RNN) - Elman, GRU and LSTM - for an approximation of the solution of the fractional-orders differential equations. The RNN network parameters are estimated via optimisation with the second order L-BFGS algorithm. It is done based on data from four systems: simple first and second fractional order LTI systems, a system of fractional-order point...
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Stability analysis of interconnected discrete-time fractional-order LTI state-space systems
PublicationIn this paper, a stability analysis of interconnected discrete-time fractional-order (FO) linear time-invariant (LTI) state-space systems is presented. A new system is formed by interconnecting given FO systems using cascade, feedback, parallel interconnections. The stability requirement for such a system is that all zeros of a non-polynomial characteristic equation must be within the unit circle on the complex z-plane. The obtained...
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Metal dusting phenomena of 501 AISI furnace tubes in refinery fractional distillation unit
PublicationThe purpose of this investigation was to conduct the failure analysis of 501 AISI furnace tubes places before distillation column in fractional distillation unit. The investigated furnace tubes were planned to work for ten years however after just two years of exploitation <30% of the material left. The observed corrosion process had the intense and complex character. The well-adhered shiny black deposits and deep, round pits were...
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New Approach to Arc Fitting for Railway Track Realignment
PublicationThis article presents a new method of arc fitting for railway track realignment. The theoretical foundations are presented, along with a detailed algorithm of the iterative computational process. This method is based on solving a set of linearized pseudo-observation equations. The formulas of the functional model of the fitting problem were derived, and a special form of objective function is proposed. An iterative method for optimization...
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Interaction of selected drugs with food in the group of patients over 60 years of age
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Thymus serpyllum Essential Oil and Its Biological Activity as a Modern Food Preserver
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Food sources of natural antioxidants for body defense against SARS-CoV-2
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The Use of Effective Microorganisms as a Sustainable Alternative to Improve the Quality of Potatoes in Food Processing
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Trophic Transfer of Mercury in a Temperate Marine Food Web, Southern Baltic Sea
PublicationMercury (Hg) is considered to be one of the most dangerous global environmental pollutants. The toxicity and bioavailabilityof Hg depend on its chemical form, and the greatest hazard is posed by the organomercurial compounds. Hg is introduced into the human body primarily through the consumption of fish and seafood. Despite numerous studies on Hg in marine organisms, there is still a gap in the knowledge on Hg uptake and...
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Confirmative electric DNA array-based test for food poisoning Bacillus cereus
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Assessment of cytotoxic and endocrine potential of selected xenobiotics commonly present in food products
PublicationMore and more increased intensity of anthropopressure processes can be observed, among other things, in the release of great quantities of synthetic substances into the environment, including the Endocrine Disrupting Compounds (EDC). A vast number of chemical substances is considered to belong to the this group, including substances which occur naturally in the environment, such as mycotoxins and phytoestrogens, and substances...
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Novel ABTS-dot-blot method for the assessment of antioxidant properties of food packaging
PublicationThe new ABTS-dot-blot method for the direct determination of antioxidant activity of active packaging that is in contact with foodstuffs has been developed. The usefulness of the new method was verified with the use of agarose, pork gelatin, bacterial cellulose and cellulose-chitosan films with incorporated standard antioxidant – Trolox or plant phytochemicals derived from three types of berry juices (chokeberry, blue-berried honeysuckle,...
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Greenness assessment of analytical methods used for antibiotic residues determination in food samples
PublicationFood of animal origin plays an important role in ensuring a healthy and sustainable human diet. However, residues of pharmaceuticals, especially antibiotics, can be the cause of many health problems. To protect consumers and improve food quality, analytical methods used to determine contaminants should be simple, selective, and have high throughput and low detection limits. Recently, greenness metric tools have proven useful in...
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Edible black ant Smith (Carebara vidua) as human food – A systematic review
PublicationMeeting food security is one of the major global challenges to ensure sufficient supply of food for current and future generations, considering increasing population growth and climate change issues. Consequently, the consumption of edible insects as an alternative food source has recently gained global attention for combating global food insecurity. The present review aims to provide information on the recent progress in consumption...
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The role of hydrodynamic cavitation in tuning physicochemical properties of food items: A comprehensive review
PublicationBackground: Today, food processing industries are looking for alternative technologies with an eco-friendly character for the processing of food, beverages and agricultural crops. Ideally, such technologies may preserve the original properties of the food products while reaching their primary target of application. Scope and approach: At this point, hydrodynamic cavitation (HC) is recognized as one of the potential technologies...
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Data and knowledge supporting decision-making for the urban Food-Water-Energy nexus
PublicationCities are hubs of innovation and wealth creation, and magnets for an increasing urban population. Cities also face unprecedented challenges in terms of food, water and energy scarcity, and governance and management. Urban environmental issues are no longer problems for experts to address but have become issues of public debate, in which knowledge from multiple sectors is needed to support inclusive governance approaches. Consequently,...
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Revealing dynamic changes of the volatile profile of food samples using PTR–MS
PublicationVolatile compounds carry valuable information regarding the properties of foodstuffs. Volatiles emitted from food can be used as, for example, indicators of quality, shelf-life, or authenticity. A better understanding of the multitude of transformations which occur during food processing could facilitate the optimisation of production, increase the desirability of food products, and also their wholesomeness. However, as some of...
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Multi-Decision Analysis for selection of the best procedure for PAHs determination in smoked food.
PublicationMaking a proper decision in multifacitated situation is very challenging task. Especially, if there are many alternatives and criteria, even contradictory ones. The support tools may be application of MultiCriteria Decision Analysis methods. In this study the application of PROMETHEE...
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Maillard-reaction (glycation) of biopolymeric packaging films; principles, mechanisms, food applications
PublicationBackground The biodegradable, biocompatible, sustainable, and renewable nature of biomaterials has led to increased interest in developing biopolymeric food packaging films (BFPFs) with green ingredients and strategies. To enhance the performance of these films, biopolymer molecules can be modified or combined with additives like nanomaterials, cross-linkers, bioactive compounds, and other polymers, particularly with Maillard-reaction...
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Could spray-dried microbeads with chitosan glutamate be considered as promising vaginal microbicide carriers? The effect of process variables on the in vitro functional and physicochemical characteristics
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Can cornelian cherry mask bitter taste of probiotic chocolate? Human TAS2R receptors and a sensory study with comprehensive characterisation of new functional product
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A European Research Agenda for Somatic Symptom Disorders, Bodily Distress Disorders, and Functional Disorders: Results of an Estimate-Talk-Estimate Delphi Expert Study
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From Functional Requirements through Test Evaluation Design to Automatic Test Data Retrieval – a Concept for Testing of Software Dedicated for Hybrid Embedded Systems
PublicationFrom Functional Requirements through Test Evaluation Design to Automatic Test Data Retrieval – a Concept for Testing of Software Dedicated for Hybrid Embedded Systems
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Funkcjonalne właściwości preparatu białek mięśniowych z kręgosłupów dorsza bałtyckiego = Functional properties of a muscle protein preparation from Baltic cod spine
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Synthesis and Structure of Novel Copper(II) Complexes with N,O- or N,N-Donors as Radical Scavengers and a Functional Model of the Active Sites in Metalloenzymes
PublicationToevaluatetheantioxidantactivityofpotentialsyntheticenzymemimetics,wepreparednewfivecopper(II)complexesviaaself‐assemblymethodandnamedthem[Cu(2‐(HOCH2)py)3](ClO4)2(1),[Cu(2‐(HOCH2)py)2(H2O)2]SiF6(2),[Cu2(2‐(HOCH2CH2)py)2(2‐(OCH2CH2)py)2](ClO4)2(3),[Cu(pyBIm)3](BF4)2∙1.5H2O(4)and[Cu(py2C(OH)2)2](ClO4)2(5).ThesyntheticprotocolinvolvedN,O‐ orN,N‐donors:2‐(hydroxymethyl)pyridine(2‐(HOCH2)py),2‐(hydroxyethyl)pyridine(2‐(HOCH2CH2)py),2‐(2‐pyridyl)benzimidazole(pyBIm),di(2‐pyridyl)ke‐tone(py2CO).TheobtainedCu(II)complexeswerefullycharacterisedbyelementalanalysis,FTIR,EPR,UV‐Vis,single‐crystalX‐raydiffractionandHirshfeldsurfaceanalysis.Crystallographicandspectroscopicanalysesconfirmedchromophoresofbothmonomeric({CuN3O3}(1),{CuN2O4}(2),{CuN6}(4),{CuN4O2}(5))anddimericcomplex({CuN2O3}(3)).Mostoftheobtainedspeciespos‐sessedadistortedoctahedralenvironment,exceptdimer3,whichconsistedoftwocoppercentreswithsquarepyramidalgeometries.Thewater‐solublecompounds(1,3and5)wereselectedforbiologicaltesting.Theresultsofthestudyrevealedthatcomplex1insolutionsdisplayedbetterradicalscavengingactivitythancomplexes3,5andfreeligands.Therefore,complex1hasbeenselectedforfurtherstudiestotestitsactivityasanenzymemimetic.Thechosencompoundwastestedontheerythrocytelysateoftwogroupsofpatientsafterundergoingchemotherapyandchemoradiotherapy.Theeffectofthetestedcompound(1)onenzymeactivitylevels(TAS,SODandCAT)suggeststhattheselectedcomplexcanbetreatedasafunctionalmimeticoftheenzymes.
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Spectroscopic and cytotoxic characteristics of (p-cymene)Ru(II) complexes with bidentate coumarins and density functional theory comparison with selected Pd(II) complexes
PublicationThis paper presents the synthesis of two new (p-cymene)-ruthenium(II) complexes with the bidentate coumarin ligands. Both complexes were characterized by FTIR spectroscopy, 1H NMR, 13C NMR, MS, elemental analysis and DFT calculations. The X-ray structure of complex 3a was also solved. The cytotoxic properties of both complexes were examined on human leukemia NALM-6 and HL-60 cells and melanoma WM-115 cells. The complexes possess...
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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...