Search results for: indoles
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublicationIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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A Green Chemistry "environmentally friendly" approach to the synthesis of chloro-intermediates of ephedrine/pseudoephedrine
PublicationMethylamphetamine is an addictive stimulant drug that strongly activates certain systems in the brain. It is closely related chemically to amphetamine, but the central nervous system effects of methamphetamine are greater. There is much interest in methylamphetamine among scientists and therefore the synthesizes of methylamphetamine and its metabolites are carried out on a large scale in chemical laboratories. Globally, ephedrine...
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Credibility of Business Operations via Internet: Customer Perspective
PublicationTourism plays an important role in economy of Mediterranean countries. Year after year, more and more people spend or like to spend their vacations (and money) in the Mediterranean region. Hiring private apartments or houses by individual persons for themselves and their families becomes more and more popular way of vacation arrangement and, in the result, constitutes an important factor of the countries' incomes. Versatile and...
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Botanical and geographical origin characterization of polish honeys by headspace SPME-GCxGC-TOFMS
PublicationVolatile organic compounds (VOCs) composition of Polish honeys obtained from various geographical regions was studied. Headspace solid phase microextraction (HS-SPME) using Divinylbenzene/Carboxen/Polydimethylsiloxane-coated fibers was used in combination with comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC× GC-TOFMS) because of the complexity of the samples. Acacia, linden, rapeseed, buckwheat...
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Iron–Sulfur Cluster Biogenesis Chaperones: Evidence for Emergence of Mutational Robustness of a Highly Specific Protein–Protein Interaction
PublicationBiogenesis of iron–sulfur clusters (FeS) is a highly conserved process involving Hsp70 and J-protein chaperones. However, Hsp70 specialization differs among species. In most eukaryotes, including Schizosaccharomyces pombe, FeS biogenesis involves interaction between the J-protein Jac1 and the multifunctional Hsp70 Ssc1. But, in Saccharomyces cerevisiae and closely related species, Jac1 interacts with the specialized Hsp70 Ssq1,...
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Morse decompositions for a two-dimensional discrete neuron model (low resolution)
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper “Topological-numerical analysis of a two-dimensional discrete neuron model” by Paweł Pilarczyk, Justyna Signerska-Rynkowska and Grzegorz Graff. A preprint of this paper is available at https://doi.org/10.48550/arXiv.2209.03443.
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Morse decompositions for a two-dimensional discrete neuron model (limited range)
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper “Topological-numerical analysis of a two-dimensional discrete neuron model” by Paweł Pilarczyk, Justyna Signerska-Rynkowska and Grzegorz Graff. A preprint of this paper is available at https://doi.org/10.48550/arXiv.2209.03443.
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Morse decompositions for a two-dimensional discrete neuron model (full range)
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper “Topological-numerical analysis of a two-dimensional discrete neuron model” by Paweł Pilarczyk, Justyna Signerska-Rynkowska and Grzegorz Graff. A preprint of this paper is available at https://doi.org/10.48550/arXiv.2209.03443.
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Jacek Namieśnik prof. dr hab. inż.
PeopleScientific discipline: chemistryRector in 2016-2019 He was born on 10 December, 1949 in Mogilno. He graduated in 1972 at the Faculty of Chemistry at Gdańsk University of Technology, obtaining a master's degree in chemical engineering. In 1972 he started working at Gdańsk University of Technology, where in 1978 he defended his doctoral thesis and in 1985 he completed his habilitation. He was appointed an associate professor in 1991...
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ASSESSMENT OF FINANCIAL SECURITY OF AN ENTERPRISE ON THE BASIS OF BEHAVIORAL ECONOMICS
PublicationThe article substantiates that the level of company’s financial security depends not so much on the indicators of its activity, but on its perception of decision-makers and other stakeholders. At the same time, this perception is formed due to the continuous participation of the stakeholder in operations, constant monitoring of financial indicators, the study of current approaches to enterprise management, changes in the environment,...
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Low-cost multi-criterial design optimization of compact microwave passives using constrained surrogates and dimensionality reduction
PublicationDesign of contemporary microwave circuits is a challenging task. Typically, it has to take into account several performance requirements and constraints. The design objectives are often conflicting and their simultaneous improvement may not be possible; instead, compromise solutions are to be sought. Representative examples are miniaturized microwave passives where reduction of the circuit size has a detrimental effect on its electrical...
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The Distribution of Glucosinolates in Different Phenotypes of Lepidium peruvianum and Their Role as Acetyl- and Butyrylcholinesterase Inhibitors—In Silico and In Vitro Studies
PublicationThe aim of the study was to present the fingerprint of different Lepidium peruvianum tu- ber extracts showing glucosinolates-containing substances possibly playing an important role in preventinting dementia and other memory disorders. Different phenotypes of Lepidium peruvianum (Brassicaceae) tubers were analysed for their glucosinolate profile using a liquid chromatograph coupled with mass spectrometer (HPLC-ESI-QTOF-MS/MS platform)....
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On Decision-Making Strategies for Improved-Reliability Size Reduction of Microwave Passives: Intermittent Correction of Equality Constraints and Adaptive Handling of Inequality Constraints
PublicationDesign optimization of passive microwave components is an intricate process, especially if the primary objective is a reduction of the physical size of the structure. The latter has become an important design consideration for a growing number of modern applications (mobile communications, wearable/implantable devices, internet of things), where miniaturization is imperative due to a limited space allocated for the electronic circuitry....
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Assessment of River Water Quality and Pollution Status Using Physicochemical and Biometrics, Awetu River, Ethiopia
PublicationThe surface water is contaminated by a variety of synthetic organic and inorganic compounds, chemicals, and nutrients; due to this reason, the quality of the water resources of Ethiopia is declining at an alarming rate, resulting in severe environmental degradation. The main objective of the study was to recognize the pollution status river for the study area by physicochemical parameters and the extent of microbial environmental...
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Accelerated Gradient-Based Optimization of Antenna Structures Using Multi-Fidelity Simulations and Convergence-Based Model Management Scheme
PublicationThe importance of numerical optimization has been steadily growing in the design of contemporary antenna structures. The primary reason is the increasing complexity of antenna topologies, [ a typically large number of adjustable parameters that have to be simultaneously tuned. Design closure is no longer possible using traditional methods, including theoretical models or supervised parameter sweeping. To ensure reliability, optimization...
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Type III Responses to Transient Inputs in Hybrid Nonlinear Neuron Models
PublicationExperimental characterization of neuronal dynamics involves recording both of spontaneous activity patterns and of responses to transient and sustained inputs. While much theoretical attention has been devoted to the spontaneous activity of neurons, less is known about the dynamic mechanisms shaping their responses to transient inputs, although these bear significant physiological relevance. Here, we study responses to transient...
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Superhydrophobic and superoleophilic melamine sponges impregnated with deep eutectic solvents for oil spill cleanup
PublicationThe extensive extraction of oil from the bottom of seas and oceans and its transportation by tankers increase the risk of potential environmental disasters associated with hydrocarbon fractions entering water reservoirs. Therefore, this paper presents the preparation of a simple impregnation of a melamine sponge with deep eutectic solvents (DES), which can be obtained from natural sources, including coconut oil, palm kernel oil,...
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An algorithm for selecting a machine learning method for predicting nitrous oxide emissions in municipal wastewater treatment plants
PublicationThis study presents an advanced algorithm for selecting machine learning (ML) models for nitrous oxide (N2O) emission prediction in wastewater treatment plants (WWTPs) employing the activated sludge process. The examined ML models comprised multivariate adaptive regression spline (MARS), support vector machines (SVM), and extreme gradient boosting (XGboost). The study explores the concept that involves new criteria to select the...
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CO2 capture using steam ejector condenser under electro hydrodynamic actuator with non-condensable gas and cyclone separator: A numerical study
PublicationThe concept for condensation of steam and CO2 separation in a negative CO2 emission gas power plant involves the utilization of a steam ejector condenser (SEC) for direct-contact condensation of vapor with inert gas (CO2) on a spray of subcooled liquid, integrated with a separator to produce pure CO2. Due to the increasing diffusion resistance and reduced convective heat transfer between the steam and subcooled water phases...
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Towards a method for detecting large roll motions suitable for oceangoing ships
PublicationThe concept of autonomous merchant ships is quite recent. The increasing interest in autonomous vessels is nowadays calling for smart technologies that are supposed to replace the human actions on board. This involves troublesome issues related to ship safety. In the future, decision-making processes that are conventionally performed by human beings on board ship will be moved ashore to the control centre and maybe even completely...
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Analysis of Methods for Determining Shallow Waterbody Depths Based on Images Taken by Unmanned Aerial Vehicles
PublicationHydrographic surveys enable the acquisition and processing of bathymetric data, which after being plotted onto nautical charts, can help to ensure safety of navigation, monitor changes in the coastal zone, and assess hydro-engineering structure conditions. This study involves the measurement of waterbody depth, identification of the seabed shape and geomorphology, the coastline course, and the location of underwater obstacles....
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Preconditioners with Low Memory Requirements for Higher-Order Finite-Element Method Applied to Solving Maxwell’s Equations on Multicore CPUs and GPUs
PublicationThis paper discusses two fast implementations of the conjugate gradient iterative method using a hierarchical multilevel preconditioner to solve the complex-valued, sparse systems obtained using the higher order finite-element method applied to the solution of the time-harmonic Maxwell equations. In the first implementation, denoted PCG-V, a classical V-cycle is applied and the system of equations on the lowest level is solved...
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Ultrasound-assisted solvent extraction of porous membrane packed solid samples: A new approach for extraction of target analytes from solid samples
PublicationFor the first time, a porous membrane-based method is proposed for the extraction of target analytes directly from the solid samples. This method involves the packing of solid sample inside a porous polypropylene membrane sheet whose edges are heat-sealed to fabricate a bag. This bag is immersed in a suitable solvent and the analytes are extracted by the application of ultrasound energy. The various factors that affect the extraction...
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Multiple transcriptional factors regulate transcription of the rpoE gene in Escherichia coli under different growth conditions and when the lipopolysaccharide biosynthesis is defective.
PublicationThe RpoE sigma factor is essential for the viability of Escherichia coli. RpoE regulates extracytoplasmic functions including lipopolysaccharide (LPS) translocation and some of its non-stoichiometric modifications. Transcription of the rpoE gene is positively autoregulated by EσE and by unknown mechanisms that control the expression of its distally located promoter(s). Mapping of 5′ ends of rpoE mRNA identified five new transcriptional...
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Landscape Rurality: New Challenge for The Sustainable Development of Rural Areas in Poland
PublicationThe standard of country living was a matter of Polish elites’ concern from the eighteenth century. In different historical conditions different concepts of the rural renewal were formed. Today in rural areas of Poland some spatial processes that threaten the quality of life occur. The disadvantageous changes are the result of national or local governments spatial policy and they are an inhabitants’ response to it. The political...
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Molecular basis for the DNA damage induction and anticancer activity of asymmetrically substituted anthrapyridazone PDZ-7
Publicationnthrapyridazones, imino analogues of anthraquinone, constitute a family of compounds with remarkable anti-cancer activity. To date, over 20 derivatives were studied, of which most displayed nanomolar cytotoxicity towards broad spectrum of cancer cells, including breast, prostate and leukemic ones. BS-154, the most potent derivative, had IC50 values close to 1 nM, however, it was toxic in animal studies. Here, we characterize another...
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Determination of trace levels of eleven bisphenol A analogues in human blood serum by high performance liquid chromatography–tandem mass spectrometry
PublicationChemicals showing structural or functional similarity to bisphenol A (BPA), commonly called BPA analogues, have recently drawn scientific attention due to their common industrial and commercial application as a substitute for BPA. In the European Union, the use of BPA has been severely restricted by law due to its endocrine disrupting properties. Unfortunately, it seems that all BPA analogues show comparable biological activity,...
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Visual Content Representation for Cognitive Systems: Towards Augmented Intelligence
PublicationCognitive Vision Systems have gained significant attention from academia and industry during the past few decades. One of the main reasons behind this interest is the potential of such technologies to revolutionize human life since they intend to work robustly under complex visual scenes (which environmental conditions may vary), adapting to a comprehensive range of unforeseen changes, and exhibiting prospective behavior. The combination...
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Trace elements content of surface peat deposits in the Solovetsky Islands (White Sea)
PublicationPeatlands form environmental archives of trace element deposition. In this regard they are particularly valuable for areas such as the Arctic, where regular pollution monitoring is either impossible or extremely costly. The aim of this study was to assess pollution in the Solovetsky Islands (65° 05' N, 35° 53' E) by examining the spatial variability in trace element content of the uppermost layer of peat, immediately below the...
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Near-Field Wireless Sensing of Plastics and Papers Using Frugal Peel-Off Passive Tag
PublicationThis article presents a novel frugal approach of testing plastics and papers using a near-field microwave sensing technique with a peel-off tag. The proposed sensing technique involves two electrical entities: the sensor, which may be regarded as a reader, and a disposable tag. The reader is a modified design of a gap-coupled microstrip line (GCML) sensor, while the passive tag is a standard double-ring complementary split-ring...
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Rapid and Reliable Re-Design of Miniaturized Microwave Passives by Means of Concurrent Parameter Scaling and Intermittent Local Tuning
PublicationRe-design of microwave passive components for the assumed operating frequencies or substrate parameters is an important yet a tedious process. It requires simultaneous tuning of relevant circuit variables, often over broad ranges thereof, to ensure satisfactory performance of the system. If the operating conditions at the available design are distant from the intended ones, local optimization is typically insufficient, whereas...
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Sequential treatment of landfill leachate by electrocoagulation/aeration, PMS/ZVI/UV and electro-Fenton: Performance, biodegradability and toxicity studies
PublicationThis study presents a systematic study on sequential treatment of highly resistant landfill leachate by electrocoagulation (EC)/aeration, sulfate radical advanced oxidation process (SR-AOP) and electro-Fenton (EF). In case of SR-AOP, peroxymonosulfate (PMS) catalyzed by zero valent iron (ZVI) and ultraviolet irradiation (UV) system was developed. Treatment process was optimized in respect to COD removal. Analysis of results revealed...
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Machine Learning-Based Wetland Vulnerability Assessment in the Sindh Province Ramsar Site Using Remote Sensing Data
PublicationWetlands provide vital ecological and socioeconomic services but face escalating pressures worldwide. This study undertakes an integrated spatiotemporal assessment of the multifaceted vulnerabilities shaping Khinjhir Lake, an ecologically significant wetland ecosystem in Pakistan, using advanced geospatial and machine learning techniques. Multi-temporal optical remote sensing data from 2000 to 2020 was analyzed through spectral...
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Statistical Data Pre-Processing and Time Series Incorporation for High-Efficacy Calibration of Low-Cost NO2 Sensor Using Machine Learning
PublicationAir pollution stands as a significant modern-day challenge impacting life quality, the environment, and the economy. It comprises various pollutants like gases, particulate matter, biological molecules, and more, stemming from sources such as vehicle emissions, industrial operations, agriculture, and natural events. Nitrogen dioxide (NO2), among these harmful gases, is notably prevalent in densely populated urban regions. Given...
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Human poverty - measuring relative deprivation from basic achievements: a comparative study for 144 countries over the period 1990-2010
PublicationPoverty – differently defined and measured – still remains one the crucial parts of the world development debate. It`s broadly perceived as multidimensional phenomenon which deprives people from basic capabilities and freedoms, limits their opportunity to educate and fully participate in the labor market contributing to overall country`s socioeconomic performance. Referring to seminal works of Sen and many others(see e.g. Morris...
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Fluorescence studies by quenching and protein unfolding on the interaction of bioactive compounds in water extracts of kiwi fruit cultivars with human serum albumin
PublicationThe main aim of this investigation was to characterize new kiwi fruit cultivars after cold storage treatment and to determine the similarities and differences between them, using spectroscopic methods. The chemometric comparison of kiwi fruit cultivars based on physicochemical indices during cold storage was carried out. All kiwi fruit cultivars showed a high level of correlation between the contents of phenolic compounds (polyphenols,...
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DETERMINATION OF SURFACTANTS IN ENVIRONMENTAL SAMPLES - PART I. CATIONIC COMPOUNDS = Oznaczanie Surfaktantów W Próbkach Środowiskowych. Część I. Związki Kationowe
PublicationCompounds from the group of cationic surfactants are widely applied in household, industrial, cleaning, disinfectant, cosmetic and pharmaceutical products as their specific properties (antimicrobial, emulsifying, anticorrosion, softening). After use, cationic surfactants are disposed to wastewater-treatment plants and finally with effluent water to surface waters due to their incomplete degradation. Moreover, they can freely circulate...
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New methodology for determination cationic surfactants in liquid environmental samples
PublicationBecause of their specific physical and chemical properties (e.g. amphiphilicity, solubility in polar and nonpolar liquids, ability to form micelles, adsorption at phase boundaries, low toxicity) surfactants (surface-active compounds) are widely applied in industry and in the household. As their applications are on a very large scale, it has become necessary to acquire a more detailed understanding of their environmental fate. Mainly,...
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Recent developments in biological sample testing methods for the confirmation of gestational exposure to tobacco smoke anddrugs of abused
PublicationSubstance use is most prevalent in reproductive-aged people also by women during pregnancy. In national prevalence surveys among women aged 15 to 44 years, 10.8 % of women reported using alcohol during pregnancy, 17 % reported smoking during pregnancy, and 4.4 % reported abusing any illicit substances during pregnancy. Virtually all illegal drugs, such as heroin and cocaine, pose dangers to a pregnant woman. Legal substances, such...
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Investigation of interaction between xanthene dye rhodamine B and metagenomic-derivated methylthioadenosine phosphorylase RSFP
PublicationIn the previous study we found that the expression of the metagenomic - derived methylthioadenosine phosphorylase gene (rsfp) in E. coli cells and the presence of rhodamine B in the growth medium were crucial for the pink fluorescence of one E. coli colony from Antarctic soil metagenomic library (Cieśliński et al., 2009). In this study, rsfp gene expression was induced by an arabinose promoter in an LMG194 E. coli strain and the...
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From tryptophan to novel mitochondria-disruptive agent, synthesis and biological evaluation of 1,2,3,6-tetrasubstituted carbazoles
PublicationMitochondrial targeting plays an important role in anticancer therapy. The Mn(III)-promoted cyclization of 5- (1H-indol-3-yl)-3-oxopentanoic acid allow to obtain novel substituted carbazole derivatives that can act as mitochondria-disruptive agents. The starting materials used for the synthesis of these new aminocarbazoles are oxopentanoate derivatives of tryptophan. The scope and limitation of this method of synthesis are determined...
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Wpływ obróbki kulinarnej na zawartość substancji bioaktywnych w kapuście białej (Brassica oleracea var. capitata f. alba)
PublicationChoroby nowotworowe stają się obecnie najbardziej znaczącym elementem kosztów leczenia społeczeństw oraz główną przyczyną przedwczesnych zgonów. Stąd też ogromne zainteresowanie profilaktyką przeciwnowotworową. W przypadku warzyw krzyżowych obserwowano najwyraźniejszą korelację pomiędzy poziomem spożycia, a obniżoną zapadalnością na nowotwory piersi, jelita grubego i płuc. W Europie Środkowej najważniejszym warzywem z rodziny krzyżowych...
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Continuation classes for a non-linear Leslie population model with 3 varying parameters
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "A database schema for the analysis of global dynamics of multiparameter systems" by Z. Arai, W. Kalies, H. Kokubu, K. Mischaikow, H. Oka, P. Pilarczyk, published in SIAM Journal on Applied Dynamical Systems (SIADS),...
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Continuation classes for a non-linear Leslie population model with 2 varying parameters
Open Research DataThis dataset contains selected results of rigorous numerical computations conducted in the framework of the research described in the paper "A database schema for the analysis of global dynamics of multiparameter systems" by Z. Arai, W. Kalies, H. Kokubu, K. Mischaikow, H. Oka, P. Pilarczyk, published in SIAM Journal on Applied Dynamical Systems (SIADS),...
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Machine-Learning-Powered EM-Based Framework for Efficient and Reliable Design of Low Scattering Metasurfaces
PublicationPopularity of metasurfaces has been continuously growing due to their attractive properties including the ability to effectively manipulate electromagnetic (EM) waves. Metasurfaces comprise optimized geometries of unit cells arranged as a periodic lattice to obtain a desired EM response. One of their emerging application areas is the stealth technology, in particular, realization of radar cross section (RCS) reduction. Despite...
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Rapid Design Centering of Multi-Band Antennas Using Knowledge-Based Inverse Models and Response Features
PublicationAccounting for manufacturing tolerances as well as uncertainties concerning operating conditions and material parameters is one of the important yet often neglected aspects of antenna development. Appropriate quantification of uncertainties allows for estimating the fabrication yield but also to carry out robust design (e.g., yield maximization). For reliability reasons, statistical analysis should be executed at the accuracy level...
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Incorporation of the sulfur cycle in sustainable nitrogen removal systems - A review
PublicationIn wastewater treatment systems, sulfur (S) removal processes are generally based on heterotrophic sulfate (SO42−) reduction by sulfate reducing bacteria and S-dependent autotrophic denitrification by sulfur oxidizing bacteria. A combination of either two cycles (N and S) or three cycles (N, S and C) appears to be a viable approach to sustainable wastewater treatment, resulting in energy savings and reduction of sludge production....
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Highly efficient maximum power point tracking control technique for PV system under dynamic operating conditions
PublicationThe application of small-scale electrical systems is widespread and the integration of Maximum Power Point Tracking (MPPT) control for Photovoltaic systems with battery applications further enhances the techno-economic feasibility of renewable systems. For this purpose, a novel MPPT control system using Dynamic Group based cooperation optimization (DGBCO) algorithm is utilized for PV systems. The population in the DGBCO is divided...
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Numerical analysis of lumbar spine injury during road safety barrier collision
PublicationPurpose: Enhancing road safety is a critical goal worldwide, necessitating the development of clear standards for road safety systems. This study focuses on lumbar spine (L-spine) compression injuries during collisions with concrete road safety barriers (RSBs). It aims to analyze internal forces during impact to understand L-spine injury biomechanics in such accidents. Methods: The research included a literature review, analyzing...
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Design centering of compact microwave components using response features and trust regions
PublicationFabrication tolerances, as well as uncertainties of other kinds, e.g., concerning material parameters or operating conditions, are detrimental to the performance of microwave circuits. Mitigating their impact requires accounting for possible parameter deviations already at the design stage. This involves optimization of appropriately defined statistical figures of merit such as yield. Alt-hough important, robust (or tolerance-aware)...