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A Hierarchical Multiscale Approach to Protein Structure Prediction: Production of Low‐Resolution Packing Arrangements of Helices and Refinement of the Best Models with a United‐Residue Force Field
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A heterotrimetallic synthetic approach in versatile functionalization of nanosized {MxCu13–xW7}3+ and {M1Cu8W6} (M = Co, Ni, Mn, Fe) metal–cyanide magnetic clusters
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Electrostatic self-assembly approach in the deposition of bio-functional chitosan-based layers enriched with caffeic acid on Ti-6Al-7Nb alloys by alternate immersion
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Integrated approach -the effective tool for pollution level control of sediments from lake turawskie = Kompleksowa ocena stopnia zanieczyszczenia osadów dennych jeziora turawskiego
PublicationTurawski zbiornik retencyjny wytypowany został do projektu pilotażowego spośród 14 obiektów zlewni Odry w ramach programu: "Stan ekologiczny jezior zaporowych w dorzeczu Odry i działania na rzecz jego poprawy". Celem projektu jest ocena stanu ekologicznego Jeziora Turawskiego dla uzyskania niezbędnych informacji mających służyć do zaprojektowania i wyboru metody jego remediacji. Jezioro Turawskie jest nizinnym zbiornikiem retencyjnym...
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Scope and limitations of the synthesis of functionalized quinolizidinones and related compounds by a simple precursor approach via addition of lithium allylmagnesates to 2-pyridones and RCM as key steps
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$^{93m}$Mo Isomer Depletion via Nuclear Excitation by Electron Capture: Energy Released for Different Atomic Subshells as Benchmarks for a Beam-based Scenario Approach
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Recommendations of the Polish Psychiatric Association for treatment of affective disorders in women of childbearing age. Part III: Approach to pregnancy loss and unsuccessful in vitro treatment of infertility
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Leveraging food waste for electricity: A low-carbon approach in energy sector for mitigating climate change and achieving net zero emission in Hong Kong (China)
PublicationIn recent years, food waste has been a global concern that contributes to climate change. To deal with the rising impacts of climate change, in Hong Kong, food waste is converted into electricity in the framework of low-carbon approach. This work provides an overview of the conversion of food waste into electricity to achieve carbon neutrality. The production of methane and electricity from waste-to-energy (WTE) conversion are...
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Offshore benthic habitat mapping based on object-based image analysis and geomorphometric approach. A case study from the Slupsk Bank, Southern Baltic Sea
PublicationBenthic habitat mapping is a rapidly growing field of underwater remote sensing studies. This study provides the first insight for high-resolution hydroacoustic surveys in the Slupsk Bank Natura 2000 site, one of the most valuable sites in the Polish Exclusive Zone of the Southern Baltic. This study developed a quick and transparent, automatic classification workflow based on multibeam echosounder and side-scan sonar surveys to...
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Maximum transportation growth in energy and solute particles in Prandtl martial across a vertical 3D-heated surface: Simulations achieved using by finite element approach
PublicationThe goal of this study is to determine the maximum energy and solute particles' transportation growth in a 3D-heated region of Prandtl martial through a dynamic magnetic field. The effects of this field on the properties of solvent molecules and heat conduction are studied. A correctly stated functional method and a finite element approach are comparable to a certain type of differential equations. In order demonstrate the effects...
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Identification of 1H‐indene‐(1, 3, 5, 6)‐tetrol derivatives as potent pancreatic lipase inhibitors using molecular docking and molecular dynamics approach
PublicationPancreatic lipase is a potential therapeutic target to treat diet-induced obesity in humans, as obesity-related diseases continue to be a global problem. Despite intensive research on finding potential inhibitors, very few compounds have been introduced to clinical studies. In this work, new chemical scaffold 1H-indene-(1,3,5,6)-tetrol was proposed using knowledge-based approach, and 36 inhibitors were derived by modifying its...
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Multiprocessor Implementation of Parallel Multiobjective Genetic Algorithm for Optimized Allocation of Chlorination Stations in Drinking Water Distribution System a New Water Quality Model Approach
PublicationThe Critical Infrastructure Systems (CISs) have received in recent years a considerable attention due to their heavy impact on sustainable development of modern societies. Most CISs may be classied as large scale complex systems of network structure, in uenced by strong interactions form the surrounding environment, internal and external interconnections. The later is a result of inter-CIS dependencies. The control, monitoring...
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Comparative Evaluation of Multicoil Inductive Power Transfer Approaches Based on Z-source Network
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Electrochemical and in silico approaches for liver metabolic oxidation of antitumor-active triazoloacridinone C -1305
Publication5-Dimethylaminopropylamino-8-hydroxytriazoloacridinone (C-1305) is a promising antitumor compound developed in our laboratory. A better understanding of its metabolic transformations is still needed to explain the multidirectional mechanism of pharmacological action of triazoloacridinone derivatives at all. Thus, the aim of the current work was to predict oxidative pathways of C-1305 that would reflect its phase I metabolism. The...
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Comparative Evaluation of Multicoil Inductive Power Transfer Approaches Based on Z-source Network
PublicationThis paper describes comparative evaluation between wireless power transfer topologies with utilization of Z-source network. Paper describes components calculation method. List of open-loop, close-loop simulations were conducted to compare both topologies. Spectrum of signals is also researched.
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Alternative treatment approaches of urinary tract infections caused by uropathogenic Escherichia coli strains
PublicationUrinary tract infections (UTIs) are the most widespread and annoying infections affecting millions of people every year annually. The biggest problem of urinary diseases are recurrences, the increasing resistance of uropathogens to commonly used antibiotics, as well as the high health care costs of afflicted persons. Uropathogenic Escherichia coli strains (UPECs) are the most dominant etiologic agent of community-acquired infections...
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Survey of Methodologies, Approaches, and Challenges in Parallel Programming Using High-Performance Computing Systems
PublicationThis paper provides a review of contemporary methodologies and APIs for parallel programming, with representative technologies selected in terms of target system type (shared memory, distributed, and hybrid), communication patterns (one-sided and two-sided), and programming abstraction level. We analyze representatives in terms of many aspects including programming model, languages, supported platforms, license, optimization goals,...
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STORMWATER AS AN ALTERNATIVE WATER SOURCE: QUALITY CHANGES WITH RAINFALL DURATION AND IMPLICATIONS FOR TREATMENT APPROACHES
PublicationThe pressure on the world’s water resources is rapidly increasing due to population growth and climatic changes. Valorisation of stormwater as a water resource for non-potable reuse can reduce high-quality water demands and save it for potable uses. In this context, not only roof runoff but also drained stormwater outflow, representing considerably higher pollution levels, should be considered as a potential resource. We analysed...
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Editorial: Applied intelligence and knowledge based systems: approaches and case studies - part 2
PublicationWydanie Cybernetics and Systems poswiecone zagadnieniom zarzadzania wiedza.
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Akebia quinata and Akebia trifoliata - a review of phytochemical composition, ethnopharmacological approaches and biological studies
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Gene Therapy Approaches to Prevent Corneal Graft Rejection: Where Do We Stand?
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Classic electrocardiogram-based and mobile technology derived approaches to heart rate variability are not equivalent
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A mechanistically approached review upon assorted cell lines stimulated by athermal electromagnetic irradiation
PublicationThe probable influence of electromagnetic irradiation on cancer treatment has been deduced from the interaction of artificial electromagnetic emissions with biological organisms. Nonetheless, the suspected health effects induced by electromagnetic-based technology imply that such a treatment may contaminate the adjacent healthy cells. Thus, gaining mechanistic insights into the problem is required to avoid athermal health hazards....
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New approaches to cutting resistance estimation of wood cutting process with circular-saw blades
PublicationTheoretical and experimental determination of values of cutting resistance belongs to the basic and simultaneously the most developed field of mechanics of this process. Energetic effects of wood sawing process are mainly calculated on the basis of the specific cutting resistance which, in wood cutting, is a function on a lot of factors. In this paper new method for calculation of cutting resistance is described. The latter method...
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Novel materials and approaches for solid-phase (micro) extraction in LC-MS-based metabolomics
PublicationMetabolomics offers a unique approach to study biological systems. Liquid chromatography coupled to mass spectrometry serves as a powerful analytical tool to analyze complex mixtures of metabolites. However, successful metabolomic analysis relies on sample preparation. While untargeted analysis traditionally favors nonselective procedures like liquid-liquid extraction (LLE), these methods can compromise analytical performance due...
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Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach
PublicationCrystal structures of (H2m4na)NO3 (1), (H2m4na)HSO4 (2), (H2m4na)2SiF6 (3) and (H2m4na)2SiF6*2H2O (4), where 2m4na = 2-methyl-4-nitroaniline, are presented. Two layers of interactions occur in the structures, N—H...O/F hydrogen bonds and interactions with the nitro group. Although diverse, hydrogen-bonding patterns are compared with each other by means of interrelations among elementary graph-set descriptors and descriptors of hydrogen-bonding...
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Vibration and buckling characteristics of nonlocal beam placed in a magnetic field embedded in Winkler–Pasternak elastic foundation using a new refined beam theory: an analytical approach
PublicationIn this article, a new refined beam theory, namely one variable first-order shear deformation theory, has been employed to study the vibration and buckling characteristics of nonlocal beam. The beam is exposed to an axial magnetic field and embedded in Winkler–Pasternak foundation. The von Kármán hypothesis along with Hamilton’s principle has been implemented to derive the governing equations for both the vibration and buckling...
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Regioselective synthesis of novel 4,5-diaryl functionalized 3,4-dihydropyrimidine-2(1H)-thiones via a non-Biginelli-type approach and evaluation of their in vitro anticancer activity
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Integrating Statistical and Machine‐Learning Approach for Meta‐Analysis of Bisphenol A‐Exposure Datasets Reveals Effects on Mouse Gene Expression within Pathways of Apoptosis and Cell Survival
PublicationBisphenols are important environmental pollutants that are extensively studied due to different detrimental effects, while the molecular mechanisms behind these effects are less well understood. Like other environmental pollutants, bisphenols are being tested in various experimental models, creating large expression datasets found in open access storage. The meta‐analysis of such datasets is, however, very complicated for various...
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Chromium‑based metal organic framework for pipette tip micro‑solid phase extraction: an effective approach for determination of methyl and propyl parabens in wastewater and shampoo samples
PublicationAbstract Background A chromium-based metal organic framework was synthesized and employed as an efficient sorbent for pipette tip micro-solid phase extraction and preconcentration of parabens from wastewater and shampoo samples up to sub-ppb level before their spectrophotometric analysis. Results Factors affecting preconcentration including volume and type of solvent, amount of sorbent, number of extraction, and volume and pH of...
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Julita Wasilczuk dr hab.
PeopleBorn on 5th of April, 1965 in Gdansk. In 1987-1991 studied the economics of transport, at the University of Gdansk. At 1993 she started to work at the Faculty of Management and Economics. In 1997 received a PhD at the faculty, in 2006 habilitation at the Faculty of Management, University of Gdansk. Since 2009 Associate Professor at Gdansk University of Technology. In 2010-2012 Associate Professor of Humanistic High School at Gdansk. The...
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Wioleta Kucharska dr hab. inż.
PeopleWioleta Kucharska (Associate Professor at the Faculty of Management and Economics of the Gdansk University of Technology, Fahrenheit Universities Union, Poland), published so far with Wiley, Springer, Taylor & Francis, Emerald, Sage, Elsevier, and Routledge. She is scientifically involved in tacit knowledge and the company culture of knowledge, learning, and collaboration (KLC approach) topics. Recently, she discovered the...
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Materials Science -- Classical Particle Approach (2022)
e-Learning CoursesThis is the course webpage for Materials Science -- Classical Particle Approach.
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Knowledge Management Approaches of Small and Medium-Sized KIBS Firms: a Descriptive Analysis of Four Countries
PublicationPurpose –There is evidence that small and medium sized enterprises (SMEs) do not manage knowledge the same way as large firms, and that they approach knowledge management (KM) in various ways. However, the literature on this topic is still scarce and fragmented. In order to fill this gap, the paper aims to single out and discuss the different features that characterize the approaches to KM adopted by small companies. Design/methodology/approach...
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Applied intelligence and knowledge-based systems: challenges, approaches, nad case studies - part 1
PublicationPrzeanalizowano najnowsze kierunki badawcze i rozwojowe w obszarze zastosowań sztucznej inteligencji i systemów opartych na wiedzy
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Toxicovigilance 2.0 – modern approaches for the hazard identification and risk assessment of toxicants in human beings: A review
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Custom-Made Antibiotic Cement Nails in Orthopaedic Trauma: Review of Outcomes, New Approaches, and Perspectives
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Analytical chemistry in technical approaches: immobilization of biosorbent waste containing heavy metals in cemented materials
PublicationAn ecologically safe and economically justified method of stabilization of the used biosorbents was developed. Sorbent contaminated with heavy metals has been successfully solidified/stabilized using a hydraulic binder. The test results indicated that up to 1% of the biosorbent residue used could be added without compromising the compressive strength of the mortar. The compressive strength of the modified mortars did not change...
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Pre‐exascale HPC approaches for molecular dynamics simulations. Covid‐19 research: A use case
PublicationExascale computing has been a dream for ages and is close to becoming a reality that will impact how molecular simulations are being performed, as well as the quantity and quality of the information derived for them. We review how the biomolecular simulations field is anticipating these new architectures, making emphasis on recent work from groups in the BioExcel Center of Excellence for High Performance Computing. We exemplified...
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Different philosophical approaches to estimating missing data in AHP frameworks for uncertainty representation in risk assessments
PublicationAHP (ang. Analytic Hierarchy Process) jest jedną z metod szeroko stosowaną w wieloatrybutowym podejmowaniu decyzji. Zwykle ekspert lub grupa ekspertów jest proszona o wyrażenie swojej subiektywnej opinii o każdej z par wariantów decyzyjnych. Na tej podstawie tworzone są tzw. macierze ocen. Zdarza się często, że macierze takie są niekompletne i wtedy występuje problem brakujących danych. Referat dotyczy wybranych metod ich uzupełnienia.
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Two approaches to model the behaviour of soft natural clays under principal stress axes rotation.
PublicationPrzedstawiono porównanie dwóch podstawowych metod modelowania konstytutywnego pozwalających na symulację odkształcenia przy obrocie składowych głównych naprężenia. Dotyczy to zastosowania wzmocnienia kinematycznego oraz modelu wielopłaszczyznowego (multi-laminate). Wyniki symulacji porównano z wynikami badań laboratoryjnym w cylindrycznym aparacie skrętnym na próbkach w kształcie wydrążonego walca.
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Wiktoria Wojnicz dr hab. inż.
PeopleDSc in Mechanics (in the field of Biomechanics) - Lodz Univeristy of Technology, 2019 PhD in Mechanics (in the field of Biomechanics) - Lodz Univeristy of Technology, 2009 (with distinction) List of papers (2009 - ) Wojnicz W., Wittbrodt E., Analysis of muscles' behaviour. Part I. The computational model of muscle. Acta of Bioengineering and Biomechanics, Vol. 11, No.4, 2009, p. 15-21 Wojnicz W., Wittbrodt E., Analysis of...
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Planning the City Against Barriers. Enhancing the Role of Public Spaces
PublicationContemporary cities are being fragmented by growing number of technical barriers like roads, railways, infrastructural objects, that generate variety of problems of different nature. The aim of the research is to present the issues connected with such barriers in the city and the ways of solving them. Main problems are e.g.: the destruction of the complexity of urban fabric, functional disadvantages, environmental and landscape...
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A nontargeted approach to determine the authenticity of Ginkgo biloba L. plant materials and dried leaf extracts by liquid chromatography-high-resolution mass spectrometry (LC-HRMS) and chemometrics
PublicationThe lack of stringent regulations regarding raw materials for herbal supplements used for medicinal purposes has been a constant challenge in the industry. Ginkgo biloba L. leaf extracts attract consumers because of the supposed positive effect on mental performance and memory. Supplements are produced using dried leaf materials and standardized leaf extracts such as EGb 761. Adulteration of Ginkgo biloba L. plants and extracts...
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Combined computational-experimental approach to predict blood–brain barrier (BBB) permeation based on “green” salting-out thin layer chromatography supported by simple molecular descriptors
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An integrated geoarchaeological approach to late Iron Age settlement at Kaštelina hillfort (Lopar, Island of Rab, Croatia) using Amplitude Data Comparison (ADC) method and trial excavation
PublicationGeophysical prospection and small-scale archaeological excavation were undertaken on the site of Kaštelina, a Late Iron Age hillfort settlement located on the Stolac promontory in the northern part of Rab island (Kvarner Gulf, Croatia). Within the frame of the “Archaeological topography of the island of Rab” program, a Polish–Croatian team applied a series of multidisciplinary methods to study the occupational history of the...
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Correction to: Chromium‑based metal organic framework for pipette tip micro‑solid phase extraction: an effective approach for determination of methyl and propyl parabens in wastewater and shampoo samples
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Correlation between the Reactivity and Spectroscopic Properties of N-Substituted Secondary Thioamides. New Intramolecular N• •H+• •N Binding Approach and Proton Complexes Based on Thioamide Ligation
PublicationFrom a comparison of chem. shifts and wavenumbers of several secondary thioamides and amides having monocationic substituents attached to thiocarbamoyl or carbamoyl groups by a polymethylene chain, new intramol. unconventional N···H+···N H bonding effects were discovered. It is argued that the CH2-N rotation is hindered and two +H···NHMe nonequiv. protons occur in a proton spectrum of hydrochloride RCH2C(S)NH(CH2)3NHMe-HCl...
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Chemical, Aroma and Pro-Health Characteristics of Kaffir Lime Juice—The Approach Using Optimized HS-SPME-GC-TOFMS, MP-OES, 3D-FL and Physiochemical Analysis
PublicationThe study aimed to provide the chemical, aroma and prohealth characteristics of the kaffir lime juice. A procedure using solid-phase microextraction with gas chromatography (SPME-GC-TOFMS) was optimized and validated for the determination of terpenes of kaffir lime. Main physicochemical parameters: pH, vitamin C, citric acid and °Brix were evaluated. Micro- and macro elements were determined using microwave plasma optic emission...
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Targeting Spike‐ACE2 Interface of SARS‐CoV‐2 and its Omicron Variant: A Comparative Screening of Potential Inhibitors for Existing and Anticipating Variants Using Molecular Modelling Approach
PublicationThe recent COVID pandemic has shown major impact on public health and economic crisis. Despite the development of many vaccines and drugs against the severe acute respiratory syndrome (SARS) coronavirus 2, the pandemic still persists. The continued spread of the virus is largely driven by the emergence of viral variants such as α, β, γ, delta, epsilon spike, omicron and its subvariants (BA.1,2,3) which can evade the current vaccines...