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Gdańsk University of Technology

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  • Modeling and Accuracy Assessment of Determining the Coastline Course Using Geodetic, Photogrammetric and Satellite Measurement Methods: Case Study in Gdynia Beach in Poland
    • Francesco Giuseppe Figliomeni
    • Mariusz Specht
    • Claudio Parente
    • Cezary Specht
    • Andrzej Stateczny
    2024 Full text Electronics

    The coastal environment represents a resource from both a natural and economic point of view, but it is subject to continuous transformations due to climate change, human activities, and natural risks. Remote sensing techniques have enormous potential in monitoring coastal areas. However, one of the main tasks is accurately identifying the boundary between waterbodies such as oceans, seas, lakes or rivers, and the land surface. The aim of this research is to evaluate the accuracy of coastline extraction using different datasets. The images used come from UAV-RGB and the Landsat-9 and Sentinel-2 satellites. The method applied for extracting the coast feature involves a first phase of application of the Normalized DifferenceWater Index (NDWI), only for satellite data, and consequent application of the maximum likelihood classification, with automatic vectorization. To carry out a direct comparison with the extracted data, a coastline obtained through a field survey using a Global Navigation Satellite System (GNSS) device was used. The results are very satisfactory as they meet the minimum requirements specified by the International Hydrographic Organization (IHO) S-44. Both the UAV and the Sentinel-2 reach the maximum order, called the Exclusive order (Total Horizontal Uncertainty (THU) of 5 m with a confidence level of 95%), while the Landsat-9 falls into the Special order (THU of 10 m with a confidence level of 95%).

  • Modeling and Strength Calculations of Parts Made Using 3D Printing Technology and Mounted in a Custom-Made Lower Limb Exoskeleton
    • Szczepan Śpiewak
    • Wiktoria Wojnicz
    • Jan Awrejcewicz
    • Magdalena Mazur
    • Michał Ludwicki
    • Bartosz Stańczyk
    • Bartłomiej Zagrodny
    2024 Full text Materials

    This study is focused on the application of 3D-printed elements and conventional elements to create a prototype of a custom-made exoskeleton for lower limb rehabilitation. The 3D-printed elements were produced by using Fused Deposition Modeling technology and acrylonitrile butadiene styrene (ABS) material. The scope of this work involved the design and construction of an exoskeleton, experimental testing of the ABS material and numerical research by using the finite element method. On the basis of the obtained results, it was possible to deduce whether the load-bearing 3D-printed elements can be used in the proposed mechanical construction. The work contains full data of the material models used in FEM modeling, taking into account the orthotropic properties of the ABS material. Various types of finite elements were used in the presented FE models. The work is a comprehensive combination of material testing issues with the possibility of implementing the obtained results in numerical strength models of machine parts.

  • Modeling lignin extraction with ionic liquids using machine learning approach
    • Karol Baran
    • Beata Barczak
    • Adam Kloskowski
    2024 Full text SCIENCE OF THE TOTAL ENVIRONMENT

    Lignin, next to cellulose, is the second most common natural biopolymer on Earth, containing a third of the organic carbon in the biosphere. For many years, lignin was perceived as waste when obtaining cellulose and hemicellulose and used as a biofuel for the production of bioenergy. However, recently, lignin has been considered a renewable raw material for the production of chemicals and materials to replace petrochemical resources. In this context, an increasing demand for high-quality lignin is to be expected. It is, therefore, essential to optimize the technological processes of obtaining it from natural sources, such as biomass. In this work, an investigation of the use of machine learning-based quantitative structure-property relationship (QSPR) modeling for the preliminary processing of lignin recovery from herbaceous biomass using ionic liquids (ILs) is described. Training of the models using experimental data collected from original publications on the topic is assumed, and molecular descriptors of the ionic liquids are used to represent structural information. The study explores the impact of both ILs' chemical structure and process parameters on the efficiency of lignin recovery from different bio sources. The findings give an insight into the extraction process and could serve as a foundation for further design of efficient and selective processes for lignin recovery using ionic liquids, which can have significant implications for producing biofuels, chemicals, and materials.

  • Modeling of free vibrations and resonant frequencies of simply-supported submerged horizontal plate
    • Justyna Slawinska-Budzich
    • Wojciech Sulisz
    • Jarosław Przewłócki
    2024 Full text PLOS ONE

    A theoretical approach was applied to study the vibration of simple-supported submerged horizontal plate. The derived analytical solution was used to determine natural frequencies for a horizontal plate vibrating in fluid. The investigations were conducted for a very wide range of material density and elasticity modulus covering all materials used in engineering practice. Analysis shows that plate vibration frequency decreases with increasing plate width and draft, and decreases with decreasing plate thickness. Moreover, the results show that a substantial effect on vibration of submerged plate has mass of water above plate. The results also show that plate vibration frequency decreases with increasing plate material density and decreases with decreasing elasticity modulus. The dominant factors affecting the vibration of the submerged plate are the plate width, the plate thickness, and elasticity modulus. For moderate and low values of elasticity modulus, vibration frequency is becoming lower than frequency of water waves. This is very important because wave frequencies overlap with the natural plate vibration frequencies, which may lead to resonance and failure of a structure. The problem is that the overlap of plate vibration frequencies and wave frequencies occurs for very wide range of wave and plate parameters. Laboratory experiments confirm theoretical results.

  • Modeling with the Anaerobic Digestion Model No. 1 for Enhanced Understanding and Application of Anaerobic Treatment Processes
    • Rongrong Mo
    • Wenjie Guo
    • Damien Batstone
    • Jacek Mąkinia
    • Yongmei Li
    2024

    Mathematical model is a valuable tool for prediction and recovery of resources and energy through anaerobic digestion of organic wastes. The International Water Association (IWA) Anaerobic Digestion Model No. 1 (ADM1) is the most commonly used structured anaerobic digestion model. However, as substrates become more complex and our deeper understanding of the anaerobic digestion mechanism, both systematic and specific modifications have been applied to ADM1. The modified models have provided a diverse range of applications besides anaerobic digestion processes, such as fermentation and biogas upgrading processes. A brief introduction to the original structure of ADM1 was presented, followed by extensions to extracellular and intracellular biochemical processes as well as physicochemical processes of the model. Then the introduction and modifications to kinetics (including inhibition functions) and stoichiometry are proposed. Furthermore, the applications of the model to a variety of anaerobic digestion scenarios are presented. Finally, the need for improvements in simulating anaerobic digestion and biogas upgrading processes, as well as the lack of full-scale application to other substrates besides sludge are highlighted. Future research perspectives are provided for the model development based on the in-depth understanding of the anaerobic treatment processes of different organic wastes and the recovery of valuable resources.

  • Modelling and Control of a Brushless Multiphase Doubly-Fed Induction Generator in a Stand-Alone Wind Generation System
    • Krzysztof Blecharz
    • Roland Ryndzionek
    • Filip Kutt
    2024 IEEE Access

    The development of the novel multiphase brushless doubly-fed generator system and voltage controller for stand-alone mode configuration is proposed in this paper. The generator system is based on the new machine construction with multiphase control winding and traditional three-phase power winding. The dynamic model of multiphase brushless doubly-fed generator is presented, and the control strategy for voltage amplitude and frequency is developed. The simulation and experimental results are used to validate the performance of the topology of the multi-phase brushless double-fed generator and of the control system. The tests of the generator system have been carried out for the normal operating state of the system and for the case where one of the control phase is inactive. This situation is equivalent to a failure in the power path of the control winding.

  • Modelling and simulations in time-fractional electrodynamics based on control engineering methods
    • Damian Trofimowicz
    • Tomasz Stefański
    • Jacek Gulgowski
    • Tomasz Talaśka
    2024 Communications in Nonlinear Science and Numerical Simulation

    In this paper, control engineering methods are presented with regard to modelling and simulations of signal propagation in time-fractional (TF) electrodynamics. That is, signal propagation is simulated in electromagnetic media described by Maxwell’s equations with fractional-order constitutive relations in the time domain. We demonstrate that such equations in TF electrodynamics can be considered as a continuous-time system of state-space equations in control engineering. In particular, we derive continuous-time analytical solutions based on state-transition matrices for electromagnetic-wave propagation in the TF media. Then, discrete-time zero-order-hold equivalent models are developed and their analytical solutions are derived. It is demonstrated that the proposed models give the same results as other reference methods presented in the literature. However, due to the application of finite-difference scheme, they remain more flexible in terms of the number of simulation scenarios which can be tackled.

  • Modelling of heat transfer during flow condensation of natural refrigerants under conditions of increased saturation pressure
    • Stanisław Głuch
    • Dariusz Mikielewicz
    2024 Full text Archives of Thermodynamics

    The paper presents a modified in-house model for calculating heat transfer coefficients during flow condensation, which can be applied to a variety of working fluids, but natural refrigerants in particular, at full range thermodynamic parameters with a particular focus on increased saturation pressure. The modified model is based on a strong physical basis, namely the hypothesis of analogy between the heat transfer coefficient and pressure drop in two-phase flow. The model verification is based on a consolidated database that consists of 1286 data points for 7 natural refrigerants and covers the reduced pressure range (the ratio of critical pressure and saturation pressure) from 0.1 to 0.8 for different mass velocities and diameters. The new version of the in-house model, developed earlier by Mikielewicz, was compared with 4 other mathematical models widely recommended for engineering calculations and obtained the best consistency results. The value of the mean absolute percentage error was 28.13% for the modified model, the best result among the scrutinised methods.

  • Modelling tunnelling-induced deformation in stiff soils with a hyperelastic–plastic anisotropic model
    • Marcin Cudny
    • Katarzyna Lisewska
    • Manuel Winkler
    • Thomas Marcher
    2024 Full text Acta Geotechnica

    In this paper, the tunnelling-induced deformation in anisotropic stiff soils is analysed using FE modelling. The influence of material description is investigated rather than an advanced simulation of the tunnelling method. A new hyperelastic– plastic model is proposed to describe the anisotropic mechanical behaviour of stiff highly overconsolidated soil. This model can reproduce the superposition of variable stress-induced anisotropy and constant inherent cross-anisotropy of the small strain stiffness. Additionally, a Brick-type framework accounts for the strain degradation of stiffness. Formulation of the novel model is presented. The tunnelling-induced deformation is first investigated in plane strain conditions for a simple boundary value problem of homogeneous ground. The influence of initial stress anisotropy and inherent cross- anisotropy is inspected. Later, the results of 2D simulations are compared with the analogous results of 3D simulations considering different excavated length of the tunnel sections. The tunnelling process is reproduced by introduction of a supported excavation and a lining contraction stage in undrained conditions. Finally, the tunnelling case study at St James Park is back analysed using the proposed material model in plane strain conditions. The obtained calculation results are compared with the field measurements and discussed.

  • Modelowanie dokładności radiolokalizowania w różnych warunkach środowiskowych przy wykorzystaniu interfejsu radiowego 5G-NR
    • Piotr Rajchowski
    • Luis M. Correia
    • Krzysztof Cwalina
    2024 Przegląd Telekomunikacyjny + Wiadomości Telekomunikacyjne

    W artykule przedstawiono wyniki eksperymentalnych badań dokładności estymacji położenia terminala użytkownika korzystającego~z interfejsu radiowego 5G-NR. W środowisku miejskim dokonano rejestracji rzeczywistych sygnałów sieci 5G, a następnie przeprowadzono badania numeryczne. Celem było zweryfikowanie różnic dokładności estymacji położenia w trzech różnych środowiskach: wewnątrz- i zewnątrzbudynkowym oraz tzw. deep-indoor.

  • Modelowanie liczby i wielkości uszkodzeń drogowych barier ochronnych na odcinkach dróg
    • Łukasz Jeliński
    2024 Full text

    W ramach rozprawy doktorskiej podjęto problem funkcjonowania barier ochronnych, ze szczególnym uwzględnieniem częstości występowania oraz wielkości uszkodzeń barier na odcinkach dróg krajowych w Polsce. Rozpoznanie tematyki funkcjonowania barier ochronnych przy drogach, oraz identyfikacja nierozwiązanych problemów, pozwoliły na sformułowanie głównego celu pracy i celów szczegółowych. Cele te obejmują opracowanie i wdrożenie do praktyki drogowej modeli matematycznych szacowania częstości występowania oraz wielkości uszkodzeń barier ochronnych, stosowanych na dwujezdniowych drogach krajowych w Polsce. Cele rozprawy osiągnięto poprzez realizację procesu badawczego, składającego się z następujących etapów: studiów literatury, opracowania programu badań, wyboru poligonów badawczych i budowy baz danych, przeprowadzenia serii badań terenowych, poligonowych i symulacyjnych, modelowania częstości zdarzeń i wielkości uszkodzeń barier ochronnych, w zależności od najistotniejszych czynników konstrukcyjnych, drogowych, ruchowych i utrzymaniowych, badania wpływu zidentyfikowanych czynników na funkcjonowanie barier oraz opracowania polskiej metody szacowania częstości i wielkości uszkodzeń barier ochronnych na odcinkach dróg. W końcowej części pracy przedstawiono wnioski z przeprowadzonych badań i analiz, wskazano rekomendacje dotyczące wykorzystania i wdrożenia wyników badań oraz zaproponowano kierunki dalszych badań.

  • Modern control strategy of bidirectional DAB converter with consideration of control nonlinearity
    • Serafin Bachman
    • Marek Turzyński
    • Marek Jasiński
    2024 Full text Przegląd Elektrotechniczny

    This paper focuses on the control strategy for modern universal bidirectional Dual Active Bridge (DAB) converters for microgrid systems. An analysis of the converter equations was carried out, and typical problems related to the influence of dead time on the system operation were discussed. A closed control loop was developed, then tested by simulation and on a laboratory stand.

  • Modern Light Sources on the Ship
    • Romuald Maśnicki
    • Janusz Mindykowski
    • Beata Pałczyńska
    • Dawid Werner
    2024

    The paper deals with studies on light flicker in selected modern light sources used on ships. The authors present and discuss the relationship between the hostile ship environment affecting the ship light systems and the extreme working conditions of the ship's crew manifested by health problems and a reduction in their manual abilities. These limitations result from the flicker phenomena provoked by both fluorescent lamps and LED technology sources. The authors showed that the traditionally used flicker analysis based on Plt and Pst indicators is not sufficient to assess the effects related to the operation of a modern lighting system, because in addition to voltage fluctuations, the properties of the source, i.e. light intensity as an input signal, must also be taken into account. This approach based on Fi and Fp coefficients was verified experimentally using the dedicated author's setup. The presented discussion of the measurement results showed that the approach used so far to assess flicker phenomena has some weaknesses and ambiguities concerning LED technology sources.

  • Modification of gradient HPLC method for determination of small molecules' affinity to human serum albumin under column safety conditions: Robustness and chemometrics study
    • Mateusz Woziński
    • Katarzyna Greber
    • Monika Pastewska
    • Piotr Kolasiński
    • Weronika Hewelt-Belka
    • Beata Żołnowska
    • Jarosław Sławiński
    • Daniel Szulczyk
    • Wiesław Sawicki
    • Krzesimir Ciura
    2024 JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

    In the early stages of drug discovery, beyond the biological activity screening, determining the physicochemical properties that affect the distribution of molecules in the human body is an essential step. Plasma protein binding (PPB) is one of the most important investigated endpoints. Nevertheless, the methodology for measuring %PPB is significantly less popular and standardized than other physicochemical properties, like lipophilicity. Here, we proposed how to modify protocols presented by Valko into column safety conditions and evaluated their robustness using fractional factorial design. For robustness testing, four factors were selected: column temperature, mobile phase flow rate, maximum isopropanol concentration in the mobile phase, and buffer pH. Elaborate methods have been applied for the analysis of HSA affinity for three groups of antibiotic-oriented substances that vary in chemical structure: fluoroquinolones, sulfonamides, and tetrazole derivatives. Furthermore, based on the reversed-phase chromatography the workflow of pilot studies was proposed to select molecules that have high affinity to HSA and can not be eluted from the HSA column using the concentration of organic modifier recommended by the column manufacturer

  • Modification of the Reloading Plastic Modulus in Generalized Plasticity Models for Soil by Introducing a New Equation for the Memory Parameter in Cyclic Loadings
    • Mohammad Oliaei
    • Reza Kamgar
    • Heisam Heidarzadeh
    • Robert Jankowski
    2024 Applied Sciences-Basel

    Nowadays, with the widespread supply of very powerful laboratory and computer equipment, it is expected that the analyses conducted for geotechnical problems are carried out with very high precision. Precise analyses lead to better knowledge of structures’ behavior, which, in turn, reduces the costs related to uncertainty of materials’ behavior. A precise analysis necessitates a precise knowledge and definition of the behavior of the constituent materials, which itself requires applying an appropriate constitutive model to show the behavior of materials. Constitutive models used in the generalized plasticity framework are very powerful constitutive models for the simulation of sand behavior. However, the simulation of a cyclic behavior in these models, especially the simulation of the undrained cyclic behavior, is not well-recognized. In this study, in order to eliminate the weakness of generalized constitutive models under cyclic loading, a new equation is presented to substitute the so-called coefficient of the discrete memory factor to consider the loading history in such a way that the plastic modulus is modified during reloading and, as a result, more appropriate predictions of sand behavior are obtained. The performance accuracy of the proposed coefficient was evaluated in accordance with the experimental data. Finally, the results show that after using the modification of the loading history coefficient, predictions of the constitutive model are significantly improved.

  • Modifications of silicate bioglass synthesis and composition for in vitro dissolution control: Static and dynamic assessment
    • Stefania Wolff
    • Sharafat Ali
    • Jakub Karczewski
    • Małgorzata Rutkowska
    • Hiroyo Segawa
    • Natalia Wójcik
    2024 JOURNAL OF NON-CRYSTALLINE SOLIDS

    A set of fifteen calcium-phosphate-silicate glass samples, varying in alkali, magnesium, silicon, and nitrogen content, was prepared, and their structural, thermal, and in vitro dissolution properties were analyzed. Infrared spectroscopy showed a high degree of depolymerization of the silicate network consisting mainly of Q2 and Q3 units. Thermal analysis showed that the silicon content primarily affects both the glass transition temperature and the thermal stability of the glasses. In vitro dissolution studies were conducted both in static and dynamic modes in phosphate-buffered saline. Greater weight loss was observed for materials tested in the dynamic mode than in the static mode. Ion concentration profiles determined for PBS after immersing the glasses showed the release of sodium and calcium into solutions. Subsequent studies, conducted using scanning electron microscopy, X-ray diffraction, and infrared spectroscopy showed the formation of an amorphous or crystalline layer of calcium phosphates, most likely hydroxyapatite.

  • Modified GAPI (MoGAPI) Tool and Software for the Assessment of Method Greenness: Case Studies and Applications
    • Fotouh R. Mansour
    • Justyna Płotka-Wasylka
    • Marcello Locatelli
    2024 Analytica

    The green analytical procedure index (GAPI) has been widely used to assess the greenness of different steps in analytical methodology. In the GAPI index, the different stages of the chemical analysis process are depicted using five pentagrams divided in subsections, labeled green, yellow, or red according to the degree of greenness. This GAPI tool provides a quick overview of the environmental impact and safety of the procedure. However, there is no total score that can be calculated from the GAPI metric to enable comparison between methods. In this work, a modified GAPI tool (MoGAPI) and software have been developed and applied to address the limitations of the current GAPI metric. The presented tool offers a more precise assessment of greenness, while the software simplifies and expedites its application. It also combines the advantages of the analytical Eco-Scale with the merits of the widely used GAPI metric. This tool was successfully applied to calculate the greenness of a few case studies and applications to show the applicability of this modified metric. The software for the MoGAPI tool is also freely available (open source) at bit.ly/MoGAPI to facilitate application and method comparison. The MoGAPI tool and its software represent a significant advancement in greenness assessment, providing researchers with a robust and user-friendly means to evaluate and compare analytical methods.

  • Modified sliding mode control for seamless integration of P.V. energy in A.C. grid
    • Shoaib Shaikh
    • Arsalan Muhammad Soomar
    • Kifayat Ullah
    • Emad A.A. Ismail
    • Fuad A. Awwad
    • Muhammad Kamran
    • Piotr Musznicki
    • Syed Hadi Hussain Shah
    2024 Full text Energy Reports

    Solar energy is a potentially abundant and reliable source of renewable energy. While it can undoubtedly increase grid reliability and efficiency, the inverted voltage generated from PV. sources may introduce distortion into the AC. grid. The proposed control mechanism, modified sliding mode control (MSMC), can seamlessly integrate the inverter output generated by obtaining DC. voltage from the boost converter linked with the PV. output. This research confirms the validity of the proposed method by comparing its results with a similar system that is only integrated through filters and with a system with a P.I. control technique. The simulation proves the effectiveness of seamlessly integrating the Photovoltaic (PV) source into the AC. grid.

  • Molecular Design Using Selected Concentration Effects in Optically Activated Fluorescent Matrices
    • Aneta Lewkowicz
    • Katarzyna Walczewska-Szewc
    • Martyna Czarnomska
    • Emilia Gruszczyńska
    • Mattia Pierpaoli
    • Robert Bogdanowicz
    • Zygmunt Gryczynski
    2024 Full text INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

    Molecular 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 field, often employs hazardous substances in analyzing friction ridges on porous surfaces, posing safety concerns. In response, we formulated novel, non-toxic procedures for examining paper evidence, particularly thermal papers. Our laboratory model utilizes a polyvinyl alcohol polymer as a rigid matrix to emulate the thermal paper’s environment, enabling precise control over the spectroscopic characteristics of 1,8-diazafluoro-9-one (DFO). We identified and analyzed the cyclodimer 1,8-diazafluoren-9-one (DAK DFO), which is a non-toxic and biocompatible alternative for revealing forensic marks. The reagents used to preserve fingerprints were optimized for their effectiveness and stability. Using stationary absorption and emission spectroscopy, along with time-resolved emission studies, we verified the spectroscopic attributes of the new structures under deliberate aggregation conditions. Raman spectroscopy and quantum mechanical computations substantiated the cyclodimer’s configuration. The investigation provides robust scientific endorsement for the novel compound and its structural diversity, influenced by the solvatochromic sensitivity of the DFO precursor. Our approach to monitoring aggregation processes signifies a substantial shift in synthetic research paradigms, leveraging simple chemistry to yield an innovative contribution to forensic science methodologies.

  • Molecular transformation of dissolved organic matter in manganese ore-mediated constructed wetlands for fresh leachate treatment
    • Md. Hasibur Rahaman
    • Tong Yang
    • Zhongyi Zhang
    • Wenbo Liu
    • Zhongbing Chen
    • Jacek Mąkinia
    • Jun Zhai
    2024 JOURNAL OF ENVIRONMENTAL MANAGEMENT

    The organic matter (OM) and nitrogen in Fresh leachate (FL) from waste compression sites pose environmental and health risks. Even though the constructed wetland (CW) can efficiently remove these pollutants, the molecular-level transformations of dissolved OM (DOM) in FL remain uncertain. This study reports the molecular dynamics of DOM and nitrogen removal during FL treatment in CWs. Two lab-scale vertical-flow CW systems were employed: one using only sand as substrates (act as a control, CW-C) and the other employing an equal mixture of manganese ore powder and sand (experimental, CW-M). Over 488 days of operation, CW-M exhibited significantly higher removal rates for chemical oxygen demand (COD), ammonia nitrogen (NH4 +-N), and dissolved organic matter (represented by dissolved organic carbon, DOC) at 98.2 ± 2.5%, 99.2 ± 1.4%, and 97.9 ± 1.9%, respectively, in contrast to CW-C (92.8 ± 6.8%, 77.1 ± 28.1%, and 74.7 ± 9.5%). The three-dimensional fluorescence excitation-emission matrix (3D-EEM) and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) analyses unveiled that the influent DOM was predominantly composed of readily biodegradable protein-like substances with high carbon content and low unsaturation. Throughout treatment, it led to the degradation of low O/C and high H/C compounds, resulting in the formation of DOM with higher unsaturation and aromaticity, resembling humic-like substances. CW-M showcased a distinct DOM composition, characterized by lower carbon content yet higher unsaturation and aromaticity than CW-C. The study also identified the presence of Gammaproteobacteria, reported as Mn-oxidizing bacteria with significantly higher abundance in the upper and middle layers of CW-M, facilitating manganese cycling and improving DOM removal. Key pathways contributing to DOM removal encompassed adsorption, catalytic oxidation by manganese oxides, and microbial degradation. This study offers novel insights into DOM transformation and removal from FL during CW treatment, which will facilitate better design and enhanced performance.

  • Molecularly imprinted polymers based on deep eutectic solvents as a greenest materials for selective extraction of emerging contaminants from complex samples
    • Mariusz Marć
    • Natalia Jatkowska
    • Justyna Płotka-Wasylka
    • Daniel Gallart-Mateu
    • Francesc A. Esteve‐turrillas
    • Miguel De la Guardia
    2024 TRAC-TRENDS IN ANALYTICAL CHEMISTRY

    Some of the reagents applied in the synthesis of molecularly imprinted polymers (MIPs) may impact on health and the environment. Thus, a new generation of promising green chemicals are nowadays introduced and investigated, including deep eutectic solvents (DESs). DESs seems to be a reasonable choice as they are characterized as non-toxic, low cost, easy to prepare and biodegradable chemicals. This review presents the information on imprinted materials prepared using versus polymerization techniques on which DESs were applied as a more green reagents. Paper presents the benefits and roles of DESs application in the synthesis of MIPs and their potential application area such as selective and reversible sorbents/resins in analytes extraction process as well as chromatographic stationary phases. Furthermore, the specific fields of application of new type of DES-based MIPs in environmental, food and biological samples analysis are described and the future remarks in the area of DES-based MIPs are discussed.

  • Molecularly imprinted polymers for the detection of volatile biomarkers
    • Tomasz Wasilewski
    • Sinem Orbay
    • Nathália F. Brito
    • Karol Sikora
    • Ana Claudia A. Melo
    • Matias E. Melendez
    • Bartosz Szulczyński
    • Amitav Sanyal
    • Wojciech Kamysz
    • Jacek Gębicki
    2024 Full text TRAC-TRENDS IN ANALYTICAL CHEMISTRY

    In the field of cancer detection, the development of affordable, quick, and user-friendly sensors capable of detecting various cancer biomarkers, including those for lung cancer (LC), holds utmost significance. Sensors are expected to play a crucial role in the early-stage diagnosis of various diseases. Among the range of options, sensors emerge as particularly appealing for the diagnosis of various diseases, owing to their cost-effectiveness, simplicity, and promising analytical performance. There is growing interest in the application of molecularly imprinted polymers (MIPs) as promising recognition elements in gas sensors. MIPs, as a leading technology for sensing analytes where no suitable bioreceptor exists, are commonly used in artificial sensing that can be applied in key fields like early disease diagnostics, based on the detection of volatile biomarkers. There is an extensive demand for early, non-invasive detection of various diseases and for the self-monitoring of health conditions. Detection of biomarkers in point-of-care mode remains challenging and is limited by various factors. Hence, breath analysis has received enormous attention in healthcare due to its relatively low cost, non-invasive sampling method, and rapid detection capabilities. The latest developments in MIP-based sensors and their utility in disease diagnosis through the detection of volatile biomarkers are comprehensively and critically evaluated in this review. Furthermore, the challenges and perspectives of MIP-based sensors are elaborated upon, with a view towards introduction to the market and successful commercialization.

  • Molybdenum sulfide modified with nickel or platinum nanoparticles as an effective catalyst for hydrogen evolution reaction
    • Mariusz Szkoda
    • Daria Roda
    • Malgorzata Skorupska
    • Rafał Glazer
    • Anna Ilnicka
    2024 Scientific Reports

    In this study, we investigate the catalytic performance of molybdenum sulfide (MoS2) modified with either nickel (Ni) or platinum (Pt) nanoparticles as catalysts for the hydrogen evolution reaction (HER). The MoS2 was prepared on the TiO2 nanotube substrates via a facile hydrothermal method, followed by the deposition by magnetron sputtering of Ni or Pt nanoparticles on the MoS2 surface. Structural and morphological characterization confirmed the successful incorporation of Ni or Pt nanoparticles onto the MoS2 support. Electrochemical measurements revealed that Ni- and Pt-modified MoS2 catalysts exhibited enhanced HER activity compared to pristine MoS2. Obtained catalysts demonstrated a low onset potential, reduced overpotential, and increased current density, indicating efficient electrocatalytic performance. Furthermore, the Ni or Pt-modified MoS2 catalyst exhibited remarkable stability during prolonged HER operation. The improved catalytic activity can be attributed to the synergistic effect between metal nanoparticles and MoS2, facilitating charge transfer kinetics and promoting hydrogen adsorption and desorption. Incorporating Ni and Pt nanoparticles also provided additional active sites on the MoS2 surface, enhancing the catalytic activity.

  • Monitoring Artificial Light Pollution Using a Multispectral Camera
    • Anna Bobkowska
    • Paweł Tysiąc
    • Paweł Burdziakowski
    • Jakub Szulwic
    2024

    Studying the adverse effects of artificial light pollution requires systematic monitoring using various methods. One commonly used technique involves assessing the intensity of light reflected from surfaces with different types of digital cameras at various measurement levels. However, this approach does not always fully capture the characteristics of the light source itself. In our study, we focused on the potential application of a multispectral camera, designed to be mounted on a drone (UAV), to evaluate the spectrum of the light source. We conducted laboratory measurements using the Micasense Dual RedEdge-MX multispectral camera. While recording scenes that included both the light source and reflected light, we also took reference measurements with a spectrometer. Using classical image analysis and mathematical methods, we verified the feasibility of assessing the spectral characteristics of light sources. Based on these results, we developed and tested a concept for monitoring light pollution with drone-mounted multispectral cameras. Our research highlights challenges related to photogrammetry and remote sensing under nighttime conditions. The short shutter-exposure time significantly limits the data needed for generating multispectral orthomosaics. As an alternative, we correlated our data with a conventional nocturnal orthomosaic and performed point-based analysis of bright pixel clusters in the images to evaluate light-source characteristics. Our findings indicate considerable potential for using multispectral cameras to monitor artificial light pollution. By broadening the range of recorded data in narrow spectral bands, we can more accurately assess this phenomenon, which is crucial for identifying sources that may negatively affect the environment, including flora, fauna, and even humans.

  • Monitoring of Ship Operations in Seaport Areas in the Sustainable Development of Ocean–Land Connections
    • Mirosław Gerigk
    • Jacek Jachowski
    • Zbigniew Burciu
    • Teresa Abramowicz-Gerigk
    2024 Sustainability

    The paper is devoted to underlining the important role of monitoring systems in the sustainable development of seaport areas—sensitive ocean–land connections exposed to the harmful effects of multimodal transport. The study concerns the existing monitoring possibilities of the environmental factors and ship traffic near port infrastructure. The main aim of the study is presenting the example of solutions, supporting the sustainable development of port areas, related to the most dangerous ship maneuvering operations carried out near the berths. An indirect method for measuring loads on the seabed from the propeller and thruster jets during ship berthing and an experimental method for predicting the hydrodynamic forces generated on a moored Panamax-size bulk carrier by a similar vessel passing along in shallow water conditions are described in the context of their implementation in monitoring systems. The cloud-based system—installed in the ferry terminal in the Port of Gdynia and developed for monitoring the flow generated by the ship propellers during maneuvers near the berth and warning about the exceedance of allowable pressure on the quay wall—allows, after a two-year operation, to draw the conclusions related to maintenance planning and has an impact on port sustainability. The discussion presented in the paper underlines the influence of monitoring both the environmental elements and hazardous ship operations on the sustainable development of seaport areas.

  • Monometallic/Bimetallic Co‐ZIFs Synthesis, Characterization, and Application for Adsorption of SO2 and CO2 in Continuous Flow System
    • Sara Sumbal
    • Zaheer Aslam
    • Umar Irshad
    • Sobia Anwar
    • Aamir Abbas
    • Waqar Ahmad
    • Ali Hamza
    2024 APPLIED ORGANOMETALLIC CHEMISTRY

    Sulfur dioxide is serious ultimatum to human health as well as environment, while carbon dioxide is viewed as one of the primary drivers of the worldwide temperature alteration. Therefore, capturing of these gases is a dynamic research subject attracting much consideration from scientists. Herein, we report synthesis of a series of Co-ZIF and bimetallic M-Co-ZIF adsorbents and application for room temperature adsorption of SO2 and CO2. In this work, the breakthrough curves for the adsorption of sulfur dioxide and carbon dioxide on Co-ZIF and M-Co-ZIF were obtained experimentally and theoretically using a laboratory-scale fixed bed column at room temperature. In this work, the adsorption capacities and breakthrough points for modified bimetallic M-Co-ZIF were found to be relatively higher than parent Co-ZIF. Notably, a high SO2 uptake capacity of 7.1 mmol/g for Zr-Co-ZIF and high CO2 uptake capacity of 69.9 mmol/g for Ni-Co-ZIF were achieved. The parent cobalt and bimetallic ZIF materials were characterized by XRD, FTIR, SEM, and nitrogen physisorption. The XRD results confirm the formation of pure phase highly crystalline ZIF materials while BET analysis suggests high surface area of prepared adsorbents. Finally, the results of dynamic adsorption combined with characterization show great potential for preparation of bimetallic ZIF adsorbents for effective SO2 and CO2 adsorption.

  • Monte Carlo simulations of the fracture resistance of an asphalt pavement layer
    • Łukasz Smakosz
    • Cezary Szydłowski
    • Jarosław Górski
    2024 CONSTRUCTION AND BUILDING MATERIALS

    The purpose of the proposed numerical model is to analyze the cracking of the wearing course in a pavement overlay, assuming a pre-existing crack that passes through the binding layer and base. The computations employed the author's simulation-based Monte Carlo material model, which describes the failure process of a Semi-Circular Bend (SCB) specimen during standard laboratory testing of asphalt concrete. A key feature of this model is the incorporation of the random nature of material parameters, allowing for the simulation of result dispersion when analyzing a sufficiently large population of samples. The proposed FEM model and obtained material data were directly applied to the numerical analysis of the pavement structure. The comprehensive computational algorithm allows for a random description of the load that induces crack propagation in the pavement wearing course, leading to the creation of a histogram that defines the range of failure load dispersion. Such supporting calculations can assist in optimizing asphalt mix design and, in the future, may allow for the estimation of pavement structure reliability.

  • Monte-Carlo Modeling of Optical Sensors for Postoperative Free Flap Monitoring
    • Paulina Stadnik
    • Ignacy Rogoń
    • Mariusz Kaczmarek
    2024 Full text

    This work aims to develop a numerical tissue model and implement software to simulate photon propagation using the Monte Carlo method to determine design guidelines for a physical measurement system. C++ was used for the simulation program, and Python as a programming environment to create an interface that allows the user to customize individual simulation elements, allowing for increased accuracy and flexibility when simulating photon movement. This allows the user to customize the simulation to their specific requirements, ensuring the results are as accurate and reliable as possible. It also models the detector to determine if a given photon is in the desired location. The program simulates the propagation of light from a normal illumination medium with anisotropic scattering and records the escape of photons on the upper surface. The simulation also takes into account absorption and scattering coefficients for a given wavelength, and data regarding these parameters are read from a .csv file. The variance reduction technique is used to improve the efficiency of the simulation. The user interface allows users to define their own parameters, such as wavelength, anisotropy coefficient, refractive index, and layer thickness. In this paper, we simulate four photodiodes and different distances between the source and detector to determine the most suitable model for designing a physical sensor.

  • More than just a beer – Brewers' spent grain, spent hops, and spent yeast as potential functional fillers for polymer composites
    • Aleksander Hejna
    • Mateusz Barczewski
    • Paulina Kosmela
    • Joanna Aniśko
    • Joanna Szulc
    • Katarzyna Skórczewska
    • Adam Piasecki
    • Tairong Kuang
    2024 WASTE MANAGEMENT

    Beer is among the most popular beverages in the world, with the production distributed uniformly between the biggest continents, so the utilization of brewing by-products is essential on a global scale. Among their potential recipients, the plastics industry offers extensive range of potential products. Herein, the presented study investigated the application of currently underutilized solid brewing by-products (brewers' spent grain, spent hops, spent yeast) as fillers for highly-filled poly(ε-caprolactone)-based composites, providing the first direct connection between spent hops or spent yeast and the polymer composites. Comprehensive by-product characterization revealed differences in chemical composition. The elemental C:O ratio, protein content, and Trolox equivalent antioxidant capacity varied from 1.40 to 1.89, 12.9 to 32.4 wt%, and 2.41 to 10.24 mg/g, respectively, which was mirrored in the composites' structure and performance. Morphological analysis pointed to the composition-driven hydrophilicity gap limiting interfacial adhesion for high shares of brewers' spent grain and spent hops, due to high hydrophilicity induced by carbohydrate content. Phytochemicals and other components of applied by-products stimulated composites' oxidative resistance, shifting oxidation onset temperature from 261 °C for matrix over 360 °C for high spent yeast shares. Simultaneously, spent yeast also provided compatibilizing effects for poly(ε-caprolactone)-based composites, reducing complex viscosity compared to other fillers and indicating its highest affinity to poly(ε-caprolactone)due to the lowest hydrophilicity gap. The presented results indicate that the proper selection of brewing by-products and adjustment of their shares creates an exciting possibility of engineering composites' structure and performance, which can be transferred to other polymers differing with hydrophilicity.

  • Morphology and internal structure of small-scale washovers formed in the coastal zone of the semi-enclosed tideless basin, Gulf of Gdańsk, Baltic Sea
    • D. Moskalewicz
    • F. Bahr
    • Łukasz Janowski
    • K. Leszczyńska
    • P. Sitkiewicz
    • M. Słowik
    • K. Stattegger
    • Paweł Tysiąc
    • C. Winter
    2024 GEOMORPHOLOGY

    This study explores the morphological features and internal structure of small-scale washovers along the southeastern Baltic Sea coast, providing insights into these most widespread yet often neglected deposits in the recent research of geomorphological and sedimentary record of storm surges. A 15-year-long record of morphological changes of the coast was acquired from regional orthophotos to analyse their geometry and spatial characteristics. Sedimentological analyses comprising a description of deposits, grain size and shape analyses, and Ground Penetrating Radar profiling were undertaken to investigate the internal structure of washovers. The formation of washovers appeared to be correlated with the average winter NAO (North Atlantic Oscillation) index. The study revealed different scaling relationships of selected spatial parameters in two coastal settings and extended previously hypothesized relationships of length-area, area-volume, and length-volume. The internal structure of washovers is defined by low-angle planar cross-stratification and horizontal stratification, both disrupted by small troughs. Grain-size data indicated extremely short transport of dune and beach sediments, lately deposited in the form of washovers. The study proves that in all domains, the geomorphological characteristics of washovers are scalable, despite the different coastal settings, and even small-scale washovers fit the existing development models

  • Most średnicowy w Warszawie. Koncepcja przebudowy
    • Krzysztof Żółtowski
    • Mikołaj Binczyk
    • Przemysław Kalitowski
    • Piotr Żółtowski
    • Sebastian Chylewski
    • Daniel Pełka
    • Tomasz Jabłoński
    2024 Mosty

    Artykuł omawia koncepcję przebudowy Mostu Średnicowego w Warszawie, który, ze względu na zły stan techniczny i nieprzystosowanie do współczesnych wymagań, wymaga rekonstrukcji. Planowana przebudowa obejmuje wykorzystanie istniejących filarów nurtowych oraz wydłużenie mostu, co pozwoli na eliminację wiaduktów nad Wisłostradą i Wybrzeżem Szczecińskim. Przedstawiono trzy warianty konstrukcyjne: kratownicę o zmiennej wysokości, skrzynkowe przęsła blachownicowe oraz konstrukcję nawiązującą do pierwotnego projektu z lat 20. XX wieku. Analizy nośności i detali konstrukcyjnych wykonano przy użyciu zaawansowanych modeli numerycznych w środowisku MES SOFiSTiK. Ostatecznie inwestor wybrał do dalszego projektowania wariant łukowy. Prace projektowe były częścią większej modernizacji całej Linii Średnicowej w Warszawie, której realizacja ma kluczowe znaczenie dla funkcjonowania stołecznego węzła kolejowego.

  • MSP for port areas – To what extent should we interfere with governance of ports’ waters? Case study of Polish seaports
    • Ernest Czermański
    • Magdalena Matczak
    • Aneta Oniszczuk-Jastrząbek
    • Karolina Krośnicka
    • Joanna Witkowska
    2024 Full text MARINE POLICY

    The EU MSP Directive imposed the requirement to develop plans for all water areas under the jurisdiction of an EU country by the end of March 2021. Poland is the only country in the Baltic Sea Region whose maritime administration has decided to elaborate detailed maritime spatial plans for port waters. The aim of the paper is to draw conclusions from the work carried out so far on the MSP for Polish port water areas. For this purpose, the drafts of the first ever plans for port areas, constituting Poland’s internal marine waters, were considered. The authors analysed planning efforts concerning Polish port water areas in two stages, quantitative and qualitative. The subjects of the analysis were the draft spatial maritime plans, prepared or in preparation, for three selected ports – Gdańsk, Szczecin and Elbląg. These study cases were chosen to represent the best variety of approaches (they were elaborated by different planning companies, having very different planning backgrounds) and were the basis for evaluating the solutions proposed in the draft plans in terms of possible interpretations of the plan’s provisions. The paper raises such questions as: What kind of functions (uses) occur while elaborating the maritime spatial plan of the port’s waters?; How are the functions distinguished within the ports’ plans interpreted by planers originating from different environments and having different types of planning experience?; How could the process of maritime spatial planning for port waters be coordinated between port authorities, maritime administration, and municipal authorities?

  • Multi-agent strategies for selected network problems
    • Robert Ostrowski
    2024 Full text

    The work contains results regarding two problems posed to a group of mobile entities, called agents, and a survey of fields of research from which these problems originate. First, in the heterogeneous graph searching problem, the agents, also called searchers, are asked to find a fugitive in a graph with edges accessible only to specific types of agents. The rules of the edge searching problem are augmented by introducing labels for the edges of the graph and agents. We provide an example with 3 distinct labels which shows the problem to be non-monotone. The heterogeneous tree searching problem is proved to be NP-Hard. Moreover, it remains NP-Complete even when restricted to monotone strategies. Additionally, an example of a case when the problem admits a polynomial algorithm is provided. In the second problem the agents are asked to complete gossiping in a tree network. The network is an edge-weighted tree and the data can only spread by being carried by agents themselves. In order to traverse an edge, an agent needs to spend energy from its battery, and agents can exchange energy whenever they meet. The bulk of the work consists of a proof that an optimal gossiping strategy can be composed of an optimal convergcast strategy followed by a broadcast strategy. We show that k agents in a network of n nodes can solve this problem in O(k2n2) time.

  • Multi-Analytical Techniques for the Study of Burial Clothes of Polish King Sigismund III Vasa (1566–1633) and His Wife Constance Habsburg (1588–1631)
    • Magdalena Śliwka-Kaszyńska
    • Maria Cybulska
    • Anna Drążkowska
    • Sławomir Kuberski
    • Jakub Karczewski
    • Anna Marzec
    • Przemysław Rybiński
    2024 Full text MOLECULES

    The subjects of this research are the burial clothes of Polish King Sigismund III Vasa and his wife Constance, which were woven and embroidered with silk and metal threads. Fragments of the textiles underwent spectroscopic, spectrometric, and thermogravimetric analyses. The hydrofluoric acid extraction method was improved to isolate various classes of dyes from the textile samples that had direct contact with human remains. High-performance liquid chromatography, coupled with diode array and tandem mass spectrometry detectors with electrospray ionization (HPLC-DAD-ESIMS/ MS) facilitated the detection and identification of colorants present in the textiles. Cochineal, indigo-, madder-, orchil-, and tannin-producing plants were identified as the sources of dyes used. Scanning electron microscopy with an energy-dispersive X-ray detector (SEM-EDS) was employed to identify and characterize the silk fibers and mordants and the metal threads. The presence of iron, aluminum, sodium, and calcium in the silk threads suggests their potential use as mordants. The analysis of the metal threads revealed that most of them were made from flattened gilded silver wire, with only a few being cut from a sheet of metal. Typical degradation mechanisms of metal threads were shown, resulting from both burial environment and earlier manufacturing process, and the use of the textiles in clothing, i.e., a significant loss of the gold layer was observed in most of silver gilt threads, caused by abrasion and delamination. The results of the thermal analysis confirmed the presence of silk and silver threads in the examined textiles.

  • Multi-channel radio-over-fiber communication systems through modulation instability phenomenon
    • Rasul Azizpour
    • Hassan Zakeri
    • Gholamreza Moradi
    • Mohammad Alibakhshikenari
    • Francisco Falcone
    • Bo Liu
    • Tayeb Dendini
    • Imko Park
    • Sławomir Kozieł
    • Ernesto Limiti
    2024 Full text IEEE Photonics Journal

    Recent advancements in Radio-over-Fiber (RoF) technology have positioned it as a promising solution for highcapacity wireless communications. This paper explores novel applications of RoF systems in enhancing phased array antenna (PAA) performance for multi-channel wireless communication applications through the modulation instability (MI) phenomenon. Utilizing fibers experiencing MI with varying group velocity dispersions (β2) of -20, -11.3, -3.2, and -2 ps2/km, the RoF system achieves operational flexibility across distinct central frequencies of 12, 16, 30, and 38 GHz, respectively. This approach represents a significant advancement in wireless communication technology, leveraging MI gain and an MI-based control system architecture to enhance performance across diverse frequency bands. The study investigates the impact of MI on modulation efficiency, presenting experimental results validating the feasibility and effectiveness of the proposed approach. The maximum MI gain by employing a 30 km fiber under MI is 18 dB, experimentally. Further optimization, achieved by increasing the fiber length to 45 km and adjusting nonlinear parameters and input power, demonstrates a remarkable MI gain of 38.1 dB. MIbased true time delay (TTD) techniques also address beam squint challenges, enhancing beamforming capabilities. The findings suggest that integrating MI into RoF systems holds excellent potential for improving wireless communication capabilities with reduced costs and space requirements compared to conventional methods. This research contributes to the growing body of knowledge in the field of RoF systems and offers insights into their practical applications in modern wireless communication networks.

  • Multi-factor fuzzy sets decision system forecasting consumer insolvency risk
    • Tomasz Korol
    2024 Decision

    The objective of this study is to develop a multi-factor decision system predicting insolvency risk for natural persons with the use of fuzzy sets. Considering that the financial situation of households is affected by various endogenous and exogenous factors, the main assumption of this study is that the system for predicting financial difficulties should not be limited to the use of only a few financial variables concerning consumers, but also include variables describing the environment. The author proposes a system consisting of three different forecasting models that connect the macroeconomic and microeconomic environments. It monitors the economic situation of households by also identifying those environmental variables, which may directly, or indirectly, endanger the consumer, such as unemployment rate (job market situation), inflation and interest rates, exchange rates, or economic situation in the country (GDP growth rate, the dynamics of retail sales, etc.). Moreover, the created multi-factor tool is in the form of a flexible application that can be easily adapted to changing economic conditions. Another unique feature of the study is the proposed use of newly developed ratios in household finance, similar to that in financial ratio analysis, which is commonly used in corporate finance. The proposed ratios demonstrated high predictive abilities. The paper also identifies the predictive capabilities of selected macroeconomic variables from the perspective of their impact on the risk of consumer insolvency. The research relies on four samples consisting of a total of 2,400 consumers from Taiwan and Poland. The author created three forecasting models separately for the South-East Asian and Central European regions, and two multi-factor systems, each consisting of 1260 decision rules. The findings clearly showed that a multi-factor system is a significantly more effective method compared to single forecasting models.

  • Multi-GPU UNRES for scalable coarse-grained simulations of very large protein systems
    • Krzysztof Ocetkiewicz
    • Cezary Czaplewski
    • Henryk Krawczyk
    • Agnieszka Lipska
    • Adam Liwo
    • Jerzy Proficz
    • Adam K. Sieradzan
    • Paweł Czarnul
    2024 COMPUTER PHYSICS COMMUNICATIONS

    Graphical Processor Units (GPUs) are nowadays widely used in all-atom molecular simulations because of the advantage of efficient partitioning of atom pairs between the kernels to compute the contributions to energy and forces, thus enabling the treatment of very large systems. Extension of time- and size-scale of computations is also sought through the development of coarse-grained (CG) models, in which atoms are merged into extended interaction sites. Implementation of CG codes on the GPUs, particularly the multiple-GPU platforms is, however, a challenge due to more complicated potentials and removing the explicit solvent, forcing developers to do interaction- rather than space-domain decomposition. In this paper, we propose a design of a multi-GPU coarse-grained simulator and report the implementation of the heavily coarse-grained physics-based UNited RESidue (UNRES) model of polypeptide chains. By moving all computations to GPUs and keeping the communication with CPUs to a minimum, we managed to achieve almost 5-fold speed-up with 8 A100 GPU accelerators for systems with over 200,000 amino-acid residues, this result making UNRES the best scalable coarse-grained software and enabling us to do laboratory-time millisecond-scale simulations of such cell components as tubulin within days of wall-clock time.

  • Multi-GPU-powered UNRES package for physics-based coarse-grained simulations of structure, dynamics, and thermodynamics of protein systems at biological size- and timescales
    • Cezary Czaplewski
    • Paweł Czarnul
    • Henryk Krawczyk
    • Agnieszka Lipska
    • Emilia Lubecka
    • Krzysztof Ocetkiewicz
    • Jerzy Proficz
    • Adam Sieradzan
    • Rafał Ślusarz
    • Józef Liwo
    2024 BIOPHYSICAL JOURNAL

    Coarse-grained models are nowadays extensively used in biomolecular simulations owing to the tremendous extension of size- and time-scale of simulations. The physics-based UNRES (UNited RESidue) model of proteins developed in our laboratory has only two interaction sites per amino-acid residue (united peptide groups and united side chains) and implicit solvent. However, owing to rigorous physics-based derivation, which enabled us to embed atomic details in the energy function, it is able to model the structures, dynamics, and thermodynamics of protein systems at good accuracy without ancillary information from structural databases. The UNRES package is an implementation of the UNRES model and uses Langevin molecular dynamics and its extensions for conformational search. It can be applied in both unrestrained simulations and those with restraints from experimental data or bioinformatics models. The package has been heavily optimized for memory and parallel performance using the message passing interface (MPI) and OpenMP libraries. Further, a GPU (graphical processor unit) and a well-scalable multiple-GPU version have been developed, thus enabling us to reach about 1 ms laboratory time in 1 day of computations for a chunk of tubulin comprising 234,260 amino-acid residues. In this communication the recent developments of the UNRES package will be presented and illustrated with appropriate examples including the simulations of (i) the dynamics of human norovirus variants, (ii) the dynamics of kinesin binding to tubulin, (iii) the conversion of thermal energy into net rotational motion by selected molecular rotatory motors, (iv) prediction of the structures of proteins and protein assemblies in recent CASP/CAPRI experiments and (iv) determination of protein structures at coarse-grained level using ambiguous NMR data. The optimized UNRES package is available from www.unres.pl and https://projects.task.gda.pl/eurohpcpl-public/unres.

  • Multi-instrument analysis of L-band amplitude scintillation observed over the Eastern Arabian Peninsula
    • Abdollah Masoud Darya
    • Muhammad Mubasshir Shaikh
    • Grzegorz Nykiel
    • Essam Ghamry
    • Ilias Fernini
    2024 ADVANCES IN SPACE RESEARCH

    The study of scintillation-causing ionospheric irregularities is important to mitigate their effects on satellite communications. It is also important due to the spatial and temporal variability of these irregularities, given that their characteristics differ from one region to another. This study investigates the spatial and temporal characteristics of L1 amplitude scintillation-causing ionospheric irregularities over the Eastern Arabian Peninsula during the ascending phase of solar cycle 25 (years 2020–2023). The temporal occurrences of weak and strong scintillation were separated by sunset, with weak scintillation observed predominantly pre-sunset during the winter solstice and strong scintillation observed mainly post-sunset during the autumnal equinox. Strong scintillation was much more pronounced in 2023 compared to the other three years, indicating a strong influence of solar activity. Spatially, weak-scintillation-causing irregularities exhibited a wide distribution in azimuth and elevation, while strong-scintillation-causing irregularities were concentrated southwards. The combined analysis of S4 and rate of total electron content index (ROTI) suggested that small-scale ionospheric irregularities were present in both pre- and post-sunset periods, while large-scale irregularities were only seen during the post-sunset period. Furthermore, the presence of southward traveling ionospheric disturbances (TIDs) during the 2023 autumnal equinox was confirmed with the total electron content anomaly (dTEC), while the Ionospheric Bubble Index (IBI) provided by the Swarm mission was unable to confirm the presence of equatorial plasma bubbles during the same period. Observations from the FORMOSAT-7/COSMIC-2 mission indicated that strong-scintillation-causing irregularities were more prevalent under the F2-layer peak, while the weak-scintillation-causing irregularities were mostly observed at the E-layer, F2-layer, and above the F2-layer. This study aims to contribute insights into the behavior of scintillation-causing ionospheric irregularities in the region, with implications for future research during the peak of the 25th solar cycle.

  • Multilayer coatings based on cerium oxide and manganese cobaltite spinel for Crofer22APU SOC interconnects
    • Elisa Zanchi
    • Justyna Ignaczak
    • Grzegorz Cempura
    • Sebastian Molin
    • Aldo R. Boccaccini
    • Federico Smeacetto
    2024 MATERIALS LETTERS

    The current state of the art steel interconnect coating materials are based on critical raw material - Co-oxide spinels. Replacing Co-oxide spinels with alternative, abundant materials can reduce the dependence on the critical raw materials. Cobalt-free coatings with the general formula Mn2-xCuFexO4, where x = 0, 0.1, 0.3, were electrophoretically deposited on a ferritic stainless-steel support and evaluated. Prior to deposition, the powders were prepared by a soft chemistry process and studied in terms of crystallographic phase analysis, electrical conductivity, thermal expansion, and sinterability behaviour. Coated steel samples were oxidised in an air atmosphere at 750 °C for 3000 h. In parallel, a state-of-the-art MnCo2O4 spinel oxide was tested as a reference. The coatings and oxide scale microstructures of the surfaces and cross-sections were examined by XRD, and SEM-EDX. TEM-EDX, XRF, and micro-XRD were also performed on the cross-section lamellae. The electrical properties of the steel-coating system were evaluated by Area Specific Resistance measurement. The results confirm that Mn–Cu–Fe oxides exhibit higher conductivity and lower TEC than Mn–Co oxide. Based on the obtained results, it might be concluded that the proposed coatings are a promising alternative to coatings that contain cobalt.

  • Multimodal analysis of traction forces and the temperature dynamics of living cells with a diamond-embedded substrate
    • Tomasz Kołodziej
    • Mariusz Mrózek
    • Saravanan Sengottuvel
    • Maciej Głowacki
    • Mateusz Ficek
    • Wojciech Gawlik
    • Zenon Rajfur
    • Adam M. Wojciechowski
    2024 Full text Biomedical Optics Express

    Cells and tissues are constantly exposed to chemical and physical signals that regulate physiological and pathological processes. This study explores the integration of two biophysical methods: traction force microscopy (TFM) and optically detected magnetic resonance (ODMR) to concurrently assess cellular traction forces and the local relative temperature. We present a novel elastic substrate with embedded nitrogen-vacancy microdiamonds that facilitate ODMR-TFM measurements. Optimization efforts focused on minimizing sample illumination and experiment duration to mitigate biological perturbations. Our hybrid ODMR-TFM technique yields TFM maps and achieves approximately 1 K precision in relative temperature measurements. Our setup employs a simple wide-field fluorescence microscope with standard components, demonstrating the feasibility of the proposed technique in life science laboratories. By elucidating the physical aspects of cellular behavior beyond the existing methods, this approach opens avenues for a deeper understanding of cellular processes and may inspire the development of diverse biomedical applications.

  • Multiscalar Control Based Airgap Flux Optimization of Induction Motor for Loss Minimization
    • Tadele Ayana
    • Marcin Morawiec
    • Lelisa Wogi
    2024 Full text IEEE Access

    Based on the induction motor model, considering the core loss resistance that accounts for magnetic characteristic saturation, a speed control approach is devised with an adaptive full-order (AFO) speed observer. The induction motor model analysis is done sincerely in a stationary reference frame. The control approach incorporates a flux reference generator designed to meet optimal operational circumstances and a nonlinear speed controller. The machine state variables are involved in flux generation and speed control rules. The performance of the proposed control strategy is formally studied by simulation and demonstrated through experiments. The technique exhibits fast convergence to the optimal flux level, reduces computational resource requirements, and enhances torque production and loss minimization accuracy. It eliminates the excessive flux demands compared to open-loop steady-state values, which will necessitate greater current levels without justification, resulting in an increased power dissipated. This optimum flux level minimizes induction motor losses for efficiency increments.

  • Multi-Taper-Based Automatic Correction of Non-Anechoic Antenna Measurements
    • Mariusz Dzwonkowski
    • Vorya Waladi
    • Adrian Bekasiewicz
    2024 Full text METROLOGIA

    Prototype measurements belong to the key steps in the development of antenna structures. Although accurate validation of their far-field performance can be realized in dedicated facilities, such as anechoic chambers, the high cost of their construction and maintenance might not be justified if the main goal of measurements is to support teaching or low-budget research. Instead, they can be performed in non-anechoic conditions and then refined using appropriate correction algorithms. Unfortunately, the existing post-processing methods suffer from multiple challenges that include manual setup of parameters as well as validation of performance in idealized conditions. In this communication, a multi-taper-based framework for correction of antenna characteristics obtained in non-anechoic environments has been proposed. The algorithm augments one-shot measurements of the structure under test in order to extract the line-of-sight responses while attenuating the interferences pertinent to multi-path propagation and noise from external sources of radiation. The performance of the proposed correction routine has been demonstrated in two test sites using a geometrically small Vivaldi radiator and validated against state-of-the-art techniques from the literature. The uncertainty budget for the measurements performed using the approach amounts to 0.26 dB, which is low given challenging propagation conditions considered for experiments.

  • Multitaper-Based Post-processing of Compact Antenna Responses Obtained in Non-anechoic Conditions
    • Mariusz Dzwonkowski
    • Adrian Bekasiewicz
    • Sławomir Kozieł
    2024

    The process of developing antenna structures typically involves prototype measurements. While accurate validation of far-field performance can be performed in dedicated facilities like anechoic chambers, high cost of construction and maintenance might not justify their use for teaching, or low-budget research scenarios. Non-anechoic experiments provide a cost-effective alternative, however the performance metrics obtained in such conditions require appropriate correction. In this paper, we consider a multitaper approach for post-processing antenna far-field characteristics measured in challenging, non-anechoic environments. The discussed algorithm enhances one-shot measurements to enable extraction of line-of-sight responses while attenuating interferences from multi-path propagation and the noise from external sources of electromagnetic radiation. The performance of the considered method has been demonstrated in uncontrolled conditions using a compact spline-based monopole. Furthermore, the approach has been favorably validated against the state-of-the-art techniques from the literature.

  • MXene-based composites for capacitive deionization – The advantages, progress, and their role in desalination - A review
    • Bakhtiar Ali Samejo
    • Kainat Naseer
    • Suraya Samejo
    • Farooque Janjhi
    • Najma Memon
    • Roberto Castro Munoz
    • Grzegorz Boczkaj
    2024 Full text Water Resources and Industry

    MXenes, a novel large family of 2D transition metal carbides, carbonitrides and nitrides are currently a “hot topic” in science due to their several fascinating physical and chemical properties. It follows from a rich diversity of their elemental compositions and chemical functionalities. MXenes can form composites with many substances, including polymers or metal oxides, which allows to effective “tune” MXene characteristics to a fit-to-the-purpose applications. Capacitive deionization (CDI) is currently widely studied as advanced desalination technique due to the advantages of cost-effectiveness, eco-friendly, and high salt removal capacity. One of key fields for CDI development relates to the ion's intercalation materials as concept taken from the sodium ion batteries, which is used in CDI because of their excellent desalination capacity. These materials provide effective sodium ions removal from the brine based on intercalation mechanism as well as redox reactions. In this review, we timely review an up-to-date accomplishment in the advancement of distinct MXene-based composite materials used as CDI electrodes, along with discussion of fundamental electrochemical energy storage mechanisms. The most relevant outcomes are highlighted together with the phenomena observed when applied in desalination applications. Finally, potential solutions as well as challenges in this field are summarized.

  • Nadmiarowe zgony podczas pandemii COVID-19 w Polsce i ocena skuteczności szczepień
    • Błażej Kochański
    • Jakub Sochacki
    2024 Full text Wiadomości Statystyczne

    Z powodu pandemii COVID-19 zmarły miliony ludzi na całym świecie. Jak wynika z wielu badań, szczepienia przeciw chorobie wywołanej wirusem SARS-CoV-2 okazały się środ-kiem ograniczającym skalę zachorowań i liczbę zgonów. Celem badania omawianego w artyku-le jest pomiar skali pandemii w Polsce za pomocą liczby nadmiarowych zgonów w podregio-nach według klasyfikacji NUTS 3 i w grupach wieku, a następnie określenie zależności pomiędzy zróżnicowaniem regionalnym względnej nadwyżki zgonów podczas czwartej fali pandemii a stopniem zaszczepienia populacji. Nadmiarowe zgony są rozumiane jako nadwyżka zgonów zarejestrowanych w stosunku do przewidywanego poziomu. Badaniem objęto okres od marca 2020 r. do lutego 2022 r. Korzystano z zasobów Eurostatu i Głównego Urzędu Statystycznego oraz danych pobranych z rządowego portalu Otwarte Dane. Analiza liczby nadmiarowych zgonów w podziale na grupy wieku wskazuje, że niemal 90% to zgony osób starszych (w wieku 60 lat i więcej). Z kolei pomiar w podziale na podregiony pozwala stwierdzić, że korelacja nadmiarowych zgonów i udziału zaszczepionych jest ujemna i dość silna. Przy założeniu występowania prostej regresji liniowej okazuje się, że dodatkowy 1% osób zaszczepionych w starszych grupach wieku przełożyłby się średnio na spadek liczby zgonów podczas czwartej fali pandemii o blisko 2000 w skali kraju. Ten wynik świadczy o tym, że szczepienia przeciw COVID-19 były skuteczne w zapobieganiu zgonom z powodu tej choro-by wśród osób starszych.

  • Nadzór i monitorowanie dostępności ZIntegrowanych Węzłów Przesiadkowych
    • Marcin Budzyński
    • Tomasz Mackun
    • Jacek Szmagliński
    • Romanika Okraszewska
    • Kazimierz Jamroz
    • Lech Michalski
    • Joanna Wachnicka
    2024

    Audyt dostępności dla planowanych, projektowanych i istniejących węzłów przesiadkowych musi być przeprowadzony w kontekście społecznym i prawnym, w którym re- alizowany jest projekt. W Polsce prawa osób z niepełnosprawnościami reguluje m.in. ustawa z dnia 19 sierpnia 1997 r. o rehabilitacji zawodowej i społecznej oraz zatrudnianiu osób niepełnosprawnych oraz ustawa z dnia 27 sierpnia 1997 r. o rehabilitacji społecznej i zawodowej oraz zatrudnianiu osób niepełnosprawnych. Obie ustawy określają prawa osób z niepełnosprawnościami, m.in. w zakresie dostępności do budynków i urządzeń użyteczności publicznej. Ponadto w Polsce obowiązuje ustawa z dnia 19 lipca 2019 r. o zapewnieniu dostępności osobom ze szczególnymi potrzebami. Ustawa ta nakłada na podmioty publiczne i prywatne obowiązek zapewnienia dostępności swoich usług, w tym węzłów przesiadkowych, dla osób o szczególnych potrzebach. W kontekście społecznym należy zwrócić uwagę na fakt, że osoby z niepełnosprawnościami stanowią znaczącą część społeczeństwa. Z danych Głównego Urzędu Statystycznego wynika, że w Polsce mieszka około 4,5 mln osób z niepełnosprawnościami. Dlatego projektowanie węzłów przesiadkowych musi uwzględniać potrzeby tej grupy osób. Warto również zwrócić uwagę na fakt, że projektowanie węzłów przesiadkowych i ich przekształcanie z myślą o dostępności dla osób o szczególnych potrzebach może wpłynąć pozytywnie na poprawę jakości życia całego społeczeństwa. Dostępność do transportu publicznego dla osób z niepełnosprawnościami może przyczynić się do zwiększenia ich aktywności i integracji ze społeczeństwem. W kontekście społecznym i prawnym audyt dostępności dla węzłów przesiadkowych jest nie tylko konieczny, ale również pozytywnie wpłynie na poprawę jakości życia osób z niepełnosprawnościami oraz całego społeczeństwa.

  • Nanofiltration-Assisted Concentration Processes of Phenolic Fractions and Carotenoids from Natural Food Matrices
    • Roberto Castro Munoz
    2024 Full text Separations

    In new food formulations, carotenoids and phenolic compounds are likely to be the most sought after food ingredients according to their bioactivity, nutraceutical, nutritional value, and compatibility properties once incorporated into food formulations. Such solutes are naturally present in many plant-based sources, and some portions are directly consumed when enriching food products and formulations; however, some portions, which are contained in the parts of the plant sources not considered edible, including the leaves, peel, and seeds, among other by-products, are commonly wasted. Related to this, scientists have found a new window for obtaining these bioactive molecules, but their recovery remains a challenge. To some extent, the final purification and polishing requires highly selective performance to guarantee the desired properties and concentration. In this regard, membrane technologies, such as nanofiltration (NF), represent an alternative, owing to their highly selective properties when separating low-molecular-weight compounds. NF becomes immediately suitable when the pretreated extracts are subjected to further efficient concentration, fractionation, and polishing of phenolic fractions and carotenoids. The separation efficiency (usually higher than 97%) of NF technology is high according to the low pore size of NF membranes, but the low temperature in process separation also contributes to the separation of thermolabile compounds. Therefore, this paper reviews the ongoing cases of studies reporting the successful separation and polishing of phenolic fractions and carotenoids from distinct sources. In particular, we have focused our attention on the main interactions during the separation process and the drawbacks and advantages of using membranes for such a case study.

  • Nanokrystaliczne tlenki metali jako katalizatory reakcji wydzielania tlenu w środowisku zasadowym
    • Krystian Lankauf
    2024 Full text

    W pracy poruszona została tematyka opracowania oraz zastosowania nanokrystalicznych tlenków metali jako katalizatorów reakcji wydzielania tlenu w elektrolicie zasadowym, tj. jednej z reakcji zachodzących podczas elektrolizy wody. Szczególną uwagę poświęcono tlenkom o strukturze spinelu i perowskitu, które znane są z wyjątkowych właściwości elektrycznych, magnetycznych, optycznych oraz katalitycznych. Materiały zostały przygotowane za pomocą metody zol żel lub wysokotemperaturowej syntezy w fazie stałej. Podjęte zostały próby modyfikacji materiałów poprzez wprowadzenie nowych pierwiastków do struktury krystalicznej czy zastosowanie dodatkowej obróbki cieplnej (wyżarzanie) lub mechanicznej (mielenie) w celu poprawy parametrów pracy katalizatora. Przeprowadzone zostały badania strukturalne za pomocą technik mikroskopowych i spektroskopowych, natomiast aktywność elektrokatalityczna była analizowana korzystając z pomiarów elektrochemicznych takich jak woltamperometria cykliczna czy elektrochemiczna spektroskopia i

  • Nanomateriały o właściwościach magnetycznych, fotokatalitycznych, biobójczych
    • Izabela Malinowska
    2024 Full text

    Tematyka badawcza pracy doktorskiej obejmuje preparatykę i charakterystykę nanomateriałów o właściwościach magnetycznych, fotokatalitycznych, biobójczych. Celem pracy była preparatyka nanomateriałów na bazie TiO2 oraz ZnFe2O4 oraz zastosowanie nanokompozytów w fotokatalizie heterogenicznej do degradacji ksenobiotyków niepodatnych na rozkład biologiczny i otrzymywania funkcjonalnych materiałów budowlanych. Otrzymane nanokompozyty scharakteryzowano za pomocą analizy powierzchni właściwej BET wraz z objętością porów, analizy rentgenograficznej XRD, analizy pętli histerezy magnetycznej oraz analizy mikroskopii elektronowej STEM. Otrzymane nanomateriały charakteryzują się właściwościami magnetycznymi, fotokatalitycznymi, biobójczymi. Taka hybrydowość właściwości pozwala na zastosowanie opisywanych materiałów jako fotokatalizatorów oraz dodatków do powszechnie znanych powłok ochronno-dekoracyjnych w celu nadania im nowych hybrydowych właściwości.