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How do sterols determine the antufungal activitiy of amphotericin B? Free energy of binding between the drug and its membrane targets.
PublicationAmphotericin B (AmB) is a well-known polyene antibiotic used to treat systemic fungal infections. It is commonly accepted that the presence of sterols in the membrane is essential for the AmB biological activity, that is, for the formation of transmembrane ion channels. The selective toxicity of AmB for fungal cells is attributed to the fact that it is more potent against fungal cell membranes containing ergosterol than against...
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Computational Study of Molecular Interactions in ZnCl2(urea)2 Crystals as Precursors for Deep Eutectic Solvents
PublicationDeep eutectic solvents (DESs) are now enjoying an increased scientific interest due to their interesting properties and growing range of possible applications. Computational methods are at the forefront of deciphering their structure and dynamics. Type IV DESs, composed of metal chloride and a hydrogen bond donor, are among the less studied systems when it comes to their understanding at a molecular level. An important example...
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Tailor-Made Polysaccharides for Biomedical Applications
PublicationPolysaccharides (PSAs) are carbohydrate-based macromolecules widely used in the biomedical field, either in their pure form or in blends/nanocomposites with other materials. The relationship between structure, properties, and functions has inspired scientists to design multifunctional PSAs for various biomedical applications by incorporating unique molecular structures and targeted bulk properties. Multiple strategies, such as...
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Deep eutectic solvents – Ideal solution for clean air or hidden danger?
PublicationThe industrial sector is one of the fastest-growing sources of greenhouse gases, due to its excessive energy consumption to meet the rapidly growing demand for energy-intensive products. The use of deep eutectic solvents (DESs) has been studied extensively in order to cope with these harmful gases, but their usage can be an issue in respect to ecological reasons. Do deep eutectic solvents harm the atmosphere? Yes, these solvents...
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Detection of Toxoplasma gondii in meat - available techniques
PublicationToxoplasma gondii, which belongs to the phylum Apicomplexa, is an absolute intercellular parasite that infects a wide range of hosts, including warm-blooded animals and humans. An infection with this parasite causes toxoplasmosis, which in most cases remains latent. However, this disease is a major threat to immunocompromised people and pregnant women. In extreme cases, it can damage nervous system or case fatal abortion. Infected...
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Effect of osmolytes of different type on DNA behavior in aqueous solution. Experimental and theoretical studies
PublicationOsmolytes, the small organic molecules accumulated in cells under environmental stress, can modulate the stability of biopolymers such as proteins and DNA. In spite of many years of research, there is no established molecular mechanism of the influence of osmolytes on DNA structure. Here, we used two model osmolytes that denature (urea) or stabilize (trimethylglycine, TMG) proteins to study their effect on DNA in aqueous solutions...
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Marine and Cosmic Inspirations for AI Algorithms
PublicationArtificial Intelligence (AI) is a scientific area that currently sees an enormous growth. Various new algorithms and methods are developed and many of them meets practical, successful applications. Authors of new algorithms draw different inspirations. Probably the most common one is the nature. For example, Artificial Neural Networks were inspired by the structure of human brain and nervous system while the classic Genetic Algorithm...
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Deep convolutional neural network for predicting kidney tumour malignancy
PublicationPurpose: According to the statistics, up to 15-20% of removed solid kidney tumors turn out to be benign in postoperative histopathological examination, despite having been identified as malignant by a radiologist. The aim of the research was to limit the number of unnecessary nephrectomies of benign tumors. Methods or Background: We propose a machine-aided diagnostic system for kidney...
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Precise Identification of Different Cervical Intraepithelial Neoplasia (CIN) Stages, Using Biomedical Engineering Combined with Data Mining and Machine Learning
PublicationCervical cancer (CC) is one of the most common female cancers worldwide. It remains a significant global health challenge, particularly affecting women in diverse regions. The pivotal role of human papillomavirus (HPV) infection in cervical carcinogenesis underscores the critical importance of diagnostic strategies targeting both HPV infection and cervical...
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Characterization of single-stranded DNA-binding proteins from the psychrophilic bacteria
PublicationSingle-stranded DNA-binding proteins (SSBs) are indispensable elements in the cells of all living organisms. SSB proteins interact with ssDNAinsequence in an independent manner, preventing them from forming secondary structures and from degradation by nucleases. In this way, SSB-binding proteins participate in all processes involving ssDNA, such as replication, repair and recombination.Although there are differences in amino acid...
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Characterization of single-stranded DNA-binding proteins from the psychrophilic bacteria
PublicationSingle-stranded DNA-binding proteins (SSBs) are indispensable elements in the cells of all living organisms. SSB proteins interact with ssDNA insequence in an independent manner, preventing them from forming secondary structures and from degradation by nucleases. In this way, SSB-binding proteins participate in all processes involving ssDNA, such as replication, repair and recombination. Although there are differences in amino...
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A comprehensive evaluation of flexible FDM/FFF 3D printing filament as a potential material in medical application
PublicationThe use of FDM/FFF in 3D printing for medical sciences is becoming common. This is due to the high availability and decent price of both 3D printers and filaments useful for FDM/FFF. Currently, researchers' attention is focused mainly on the study of medical filaments based on PLA, PCL or their modifications. This contributes to insufficient diversity of medical-grade filaments on the market. Moreover, due to the lack of specified...
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Klasyfikacja sygnału EKG przy użyciu konwolucyjnych sieci neuronowych
PublicationAutomation and improvement of diagnostic process is a vital element of medicine development and patient’s condition self-control. For a long time different ECG signal classification methods exist and are successfully applied, nevertheless their accuracy is not always satisfying enough. The lack of identification of an existing abnormality, which is very similar to a normal heartbeat is the biggest issue - for example premature...
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Klasyfikacja sygnału EKG przy użyciu konwolucyjnych sieci neuronowych
PublicationAutomation and improvement of diagnostic process is a vital element of medicine development and patient’s condition self-control. For a long time different ECG signal classification methods exist and are successfully applied, nevertheless their accuracy is not always satisfying enough. The lack of identification of an existing abnormality, which is very similar to a normal heartbeat is the biggest issue - for example premature...
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Process of Emergence of Smart Specialisation in Pomeranian Voivodeship in Poland
PublicationThe European Commission puts a growing emphasis on the smart specialization as a tool of regional development. This term is present in a number of strategic development documents in the European Union, including Europe 2020, published by the European Commission in 2010. It implies the need for countries and regions to specialize as well as focus the development of innovation on areas that are consistent with their endogenous potentials. Objectives...
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Electronic nose algorithm design using classical system identification for odour intensity detection
PublicationThe two elements considered crucial for constructing an efficient environmental odour intensity monitoring systems are sensors and algorithms typically addressed to as electronic nose sensor (e-nose). Due to operational complexity of biochemical sensors developed in human bodies algorithms based on computational methods of artificial intelligence are typically considered superior to classical model based approaches in development...
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Aptamer based tools for environmental and therapeutic monitoring: A review of developments, applications, future perspectives
PublicationNucleic acids in the form of aptamers play a growing and significant role in the targeted and rapid analysis of environmental sample composition and medical analyses. In this paper, the review of both aptamers synthesis methods as well as application of these short chain oligonucleotides (with critical comments on their strong and weak features) are given. The first ones include: systematic evolution of ligands by exponential enrichment...
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The Experimental Determination of Bearings Dynamic Coefficients in a Wide Range of Rotational Speeds, Taking into Account the Resonance and Hydrodynamic Instability
PublicationMethods for the experimental determination of dynamic coefficients are commonly used for the analysis of various types of bearings, including hydrodynamic, aerodynamic and foil bearings. There are currently several algorithms that allow estimating bearing dynamic coefficients. Such algorithms usually use various excitation techniques applied to rotor–bearings systems. So far only a small number of scientific publications show how...
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Material Parameters Identification of Historic Lighthouse Based on Operational Modal Analysis
PublicationIn the present paper, the identification of the material parameters of a masonry lighthouse is discussed. A fully non-invasive method was selected, in which the material properties were determined via numerical model validation applied to the first pair of natural frequencies and their related mode shapes, determined experimentally. The exact structural model was built by means of the finite element method. To obtain experimental...
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Buzz-based honeybee colony fingerprint
PublicationNon-intrusive remote monitoring has its applications in a variety of areas. For industrial surveillance case, devices are capable of detecting anomalies that may threaten machine operation. Similarly, agricultural monitoring devices are used to supervise livestock or provide higher yields. Modern IoT devices are often coupled with Machine Learning models, which provide valuable insights into device operation. However, the data...
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THE GENE CLONING, OVEREXPRESSION, PURIFICATION AND BIOCHEMICAL CHARACTERISATION OF A NEW COLD-ADAPTED β–GALACTOSIDASE FROM ARTHROBACTER SP. VII-4
PublicationINTRODUCTION. β-Galactosidase [EC 3.2.1.23] is an enzyme that catalyzes the hydrolysis of O-glycosidic linkages in galactosides. It is commercially used in dairy industry for the production of milk with reduced lactose content. Potentially, the best method for lactose removal under cooling conditions should be carried out with a cold-adapted enzyme. AIM. The aim of this study was to determine the taxonomic affiliation of the isolate...
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Epoxy/Ionic Liquid-Modified Mica Nanocomposites: Network Formation–Network Degradation Correlation
PublicationWe synthesized pristine mica (Mica) and N-octadecyl-N’-octadecyl imidazolium iodide (IM) modified mica (Mica-IM), characterized it, and applied it at 0.1–5.0 wt.% loading to prepare epoxy nanocomposites. Dynamic differential scanning calorimetry (DSC) was carried out for the analysis of the cure potential and kinetics of epoxy/Mica and epoxy/Mica-IM curing reaction with amine curing agents at low loading of 0.1 wt.% to avoid particle...
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The influence of reactions conditions on aggregation of dyes used in biochemistry
PublicationSelf-association of dyes and related substances is a very important phenomenon in many fields of applied chemistry. It is also fundamental model reaction of many kinds of molecular interactions such as the micelle formation of amphiphilic substances and the binding of small organic molecules to macromolecules. In spite of many studies concerning the dimerization equilibria of dyes and related substances, the mechanism seems not...
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Synthesis and structural characterization of bio-based bis(cyclic carbonate)s for the preparation of non-isocyanate polyurethanes
PublicationBio-based cyclic carbonates are of significant research interest as monomers for non-isocyanate polyurethane (NIPU) synthesis. This research describes the synthesis of a series of five-membered bis(cyclic carbonate)s using bio-based polyether polyols (PO3G) with different molecular weights (250, 650 and 1000 g mol−1) and carbon dioxide as green feedstocks. The utilization of CO2 as a source of carbon in the chemical reaction is...
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The role of hydrogen bonding on tuning hard-soft segments in bio-based thermoplastic poly(ether-urethane)s
PublicationThis work describes the preparation of bio-based thermoplastic poly(ether-urethane)s (TPU) via a prepolymer method and investigates the effect of varying the interphase hydrogen-bonding (H-bonding) on physicochemical, thermal and mechanical properties. This was achieved by varying the glycol type and molar ratio of [NCO]/[OH] groups used during the prepolymer chain extending step. The TPUs’ chemical structure was analyzed by Fourier...
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Wykorzystanie wiązań niekowalencyjnych do otrzymywania jedno- i dwuskładnikowych struktur supramolekularnych
PublicationPrzedstawiona rozprawa doktorska dotyczy badań nad wykorzystaniem oddziaływań międzycząsteczkowych do projektowania i syntezy uporządkowanych struktur krystalicznych, ze szczególnym uwzględnieniem wiązań halogenowych i chalkogenowych jako stosunkowo nowych i bardzo atrakcyjnych z punktu widzenia inżynierii kryształu. Praca podzielona jest na kilka części. Pierwsza z nich stanowi wstęp teoretyczny obejmujący opis, założenia oraz...
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METODA WIELOKRYTERIALNEJ OCENY PRZEBUDOWY UKŁADÓW TOROWYCH NA SZLAKACH
PublicationRozprawa doktorska dotyczy zagadnienia projektowania układów geometrycznych toru kolejowego w procesie modernizacji linii kolejowych. Scharakteryzowano główne cechy dotyczące tej tematyki w oparciu o literaturę polską i zagraniczną, w tym przepisy branżowe. Przedstawiono czynniki wpływające na projektowanie modernizacji linii kolejowych. Określono wartości dopuszczalne parametrów kinematycznych i geometrycznych. Specyfika omawianego...
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Designing acoustic scattering elements using machine learning methods
PublicationIn the process of the design and correction of room acoustic properties, it is often necessary to select the appropriate type of acoustic treatment devices and make decisions regarding their size, geometry, and location of the devices inside the room under the treatment process. The goal of this doctoral dissertation is to develop and validate a mathematical model that allows predicting the effects of the application of the scattering...
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[IMe] Advanced numerical methods in mechanics
e-Learning Courses{mlang pl} Dyscyplina: inżynieria mechaniczna Zajęcia obowiązkowe dla doktorantów I i II roku Prowadzący: dr hab. inż. Krzysztof Tesch, prof. PG, dr hab. inż. Arkadiusz Żak, prof. PG Liczba godzin: 45 Forma zajęć: wykład {mlang} {mlang en} Discipline: mechanical engineering Obligatory course for 1st and 2nd-year PhD students Academic teachers: dr hab. inż. Krzysztof Tesch, prof. PG, dr hab. inż. Arkadiusz Żak, prof....
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Exploring the trends in flux-cored arc welding: scientometric analysis approach
PublicationFlux-cored arc welding (FCAW) is a universal group of welding methods in terms of the scope of application and automation possibilities, the share of which in various industries in many countries is still increasing. The paper presents the results of bibliographic analyses (scientometric analysis with the use of VOSviewer, Bibliometrix and CitNetExplorer tools) of a data set of 993 publications indexed in the Web of Science database...
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Analysis of friction ridge evidence for trace amounts of paracetamol in various pharmaceutical industries by Raman spectroscopy
PublicationThe detection of potentially harmful substances presents a multifaceted challenge. On one hand, it can directly save lives, on the other, it can significantly aid and enhance police work, thereby increasing the effectiveness of investigations. The research conducted in this study primarily aims to identify paracetamol in fingerprints, considering situations involving direct contact of a person with paracetamol either chronically...
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Modelling and Simulation of a New Variable Stiffness Holder for Milling of Flexible Details
PublicationModern industry expectations in terms of milling operations often demand the milling of the flexible details by using slender ball-end tools. This is a difficult task because of possible vibration occurrence. Due to existence of certain conditions (small depths of cutting, regeneration phenomena), cutting process may become unstable and self-excited chatter vibration may appear. Frequency of the chatter vibration is close to dominant...
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Ionic liquids-based microextraction techniques
PublicationIn recent years, the development of highly efficient analytical techniques is of great importance, however, the direct analysis of complex sample matrix is still impossible in many cases. Therefore, the step of sample preparation is commonly involved in an analytical procedure. Over the years, it has been realized that the major source of inaccuracy and imprecision on general analysis results from the operations associated to sample...
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Application of 3D scanning and computer simulation techniques to assess the shape accuracy of welded components
PublicationWhile traditional measurement methods prove to be insufficient when facing more complex shapes and intricate challenges, increasingly efficient solutions are emerging in their place. 3D scanners in particular exhibit versatility. They clearly represent a useful tool in many fields with diverse requirements; thus, it is advisable to explore further areas of their potential applications, e.g., in quality control or reverse engineering....
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Discrete identification of continuous non-linear and non-stationary dynamical systems that is insensitive to noise correlation and measurement outliers
PublicationThe paper uses specific parameter estimation methods to identify the coefficients of continuous-time models represented by linear and non-linear ordinary differential equations. The necessary approximation of such systems in discrete time in the form of utility models is achieved by the use of properly tuned `integrating filters' of the FIR type. The resulting discrete-time descriptions retain the original continuous parameterization...
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Strategies for computationally feasible multi-objective simulation-driven design of compact RF/microwave components
PublicationMulti-objective optimization is indispensable when possible trade-offs between various (and usually conflicting) design objectives are to be found. Identification of such design alternatives becomes very challenging when performance evaluation of the structure/system at hand is computationally expensive. Compact RF and microwave components are representative examples of such a situation: due to highly compressed layouts and considerable...
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Mobile Security: Threats and Best Practices
PublicationCommunicating mobile security threats and best practices has become a central objective due to the ongoing discovery of new vulnerabilities of mobile devices. To cope with this overarching issue, the goal of this paper is to identify and analyze existing threats and best practices in the domain of mobile security. To this extent, we conducted a literature review based on a set of keywords. The obtained results concern recognizable...
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The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification
PublicationDeveloping of theoretical tools can be very helpful for supporting new pollutant detection. Nowadays, a combination of mass spectrometry and chromatographic techniques are the most basic environmental monitoring methods. In this paper, two organochlorine compound mass spectra classification systems were proposed. The classification models were developed within the framework of artificial neural networks (ANNs) and fast 1D and...
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublicationThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublicationWe present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...
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A Computational Analysis of the Proton Affinity and the Hydration of TEMPO and Its Piperidine Analogs
PublicationThe study investigated the impact of protonation and hydration on the geometry of nitroxide radicals using B3LYP and M06-2X methods. Results indicated that TEMPO exhibited the highest proton affinity in comparison to TEMPOL and TEMPONE. Two pathways contribute to hydrated protonated molecules. TEMPO shows lower first enthalpies of hydration (ΔH1-M), indicating stronger H-bonding interactions, while TEMPONE shows higher values,...
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TIME SERIES MODELING (PG_00063724)
e-Learning CoursesEffectively uses in-depth knowledge of economic time series analysis methods, applying the results of analyzes to formulate forecasts. Subject contents: 1. Classical time series analysis (trend, cyclical fluctuations) 2. Exponential smoothing models 3. Holt and Winters model 4. Stochastic processes and time series 5. Characteristics of stochastic processes 6. Process spectrum autocorrelation functions 7. Study of the stationarity...
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Typing of Scopulariopsis and Microascus fungi by Random Amplified Polymorphic DNA (RAPD)
PublicationOBJECTIVES Scopulariopsis species and their teleomorphs of the genus Microascus are commonly isolated from soil, decaying plant material and indoor environments. Moreover, certain Scopulariopsis and Microascus species are recognised as opportunistic human pathogens. Although most species can be identified by detailed morphological study, phenotypic characters appear to overlap in several cases and morphology seems to be insufficient...
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Zaawansowane Metody Pomiarowe i Diagnostyczne 2022/2023
e-Learning Courses{mlang en} 1. Introduction/Guide for the use of the International System of Units2. Rules and style conventions for expressing values of quantities.3. The role of measurement uncertainty in conformity assessment. 4. Probabilistic model for measurement processes, estimation theory5. Analog-digital conversion methods6. Selected structures of classical analog-digital converters7. New techniques of analog-digital conversion: sigma-delta...
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Zaawansowane Metody Pomiarowe i Diagnostyczne 2023/2024
e-Learning Courses{mlang en} 1. Introduction/Guide for the use of the International System of Units2. Rules and style conventions for expressing values of quantities.3. The role of measurement uncertainty in conformity assessment. 4. Probabilistic model for measurement processes, estimation theory5. Analog-digital conversion methods6. Selected structures of classical analog-digital converters7. New techniques of analog-digital conversion: sigma-delta...
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Zaawansowane Metody Pomiarowe i Diagnostyczne 2024/2025
e-Learning Courses{mlang en} 1. Introduction/Guide for the use of the International System of Units2. Rules and style conventions for expressing values of quantities.3. The role of measurement uncertainty in conformity assessment. 4. Probabilistic model for measurement processes, estimation theory5. Analog-digital conversion methods6. Selected structures of classical analog-digital converters7. New techniques of analog-digital conversion: sigma-delta...
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Analityka surfaktantów w próbkach środowiskowych
PublicationSurfaktanty stanowią grupę związków charakteryzujących się specyficznymi właściwościami fizykochemicznymi (m.in. amfifilowa budowa, zdolność rozpuszczania się w cieczach o różnej polarności, zdolność do tworzenia micelli) i z tego względu są one wykorzystywane w wielu sferach działalności człowieka. Związki powierzchniowo-czynne ulegają różnorodnym przemianom fizykochemicznym, co umożliwia ich migrację między różnymi elementami...
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Metody usuwania zakłóceń podczas pomiarów polowych widm Ramana
PublicationW pracy zostały scharakteryzowane źródła zakłóceń występujące podczas pomiarów widm Ramana w warunkach polowych. Zaprezentowano wpływ czasu integracji na jakość rejestrowanych widm w przypadkach, gdy szumy własne spektrometru mają składową typu 1/f, dominującą w zakresie małych częstotliwości. Przedstawiono także wyniki uzyskane podczas pomiarów z detekcją synchroniczną, stosowaną w przenośnych spektrometrach Ramana, w pomiarach...
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Silicon’s Influence on Polyphenol and Flavonoid Profiles in Pea (Pisum sativum L.) under Cadmium Exposure in Hydroponics: A Study of Metabolomics, Extraction Efficacy, and Antimicrobial Properties of Extracts
PublicationThe current study aimed to investigate the impact of silicon (Si) supplementation in the form of Na2SiO3 on the metabolome of peas under normal conditions and following exposure to cadmium (Cd) stress. Si is known for its ability to enhance stress tolerance in various plant species, including the mitigation of heavy metal toxicity. Cd, a significant contaminant, poses risks to...
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Exploring the landscape of automatic cerebral microbleed detection: A comprehensive review of algorithms, current trends, and future challenges
PublicationThis paper provides the first review to date which gathers, describes, and assesses, to the best of our knowledge, all available publications on automating cerebral microbleed (CMB) detection. It provides insights into the current state of the art and highlights the challenges and opportunities in this topic. By incorporating the best practices identified in this review, we established guidelines for the development of CMB detection...