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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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"Problemy Klimatologii Polarnej" w świetle wybranych statystyk
PublicationW pracy przedstawiono analizę cytowań artykułów opublikowanych w 24 tomach rocznika „Problemy Klimatologii Polarnej” w latach 1992-2014 opracowaną na podstawie bazy Web of Science i serwisu naukowo-informacyjnego Google Scholar. Przeprowadzono również kwerendę takich cytowań w polskich publikacjach zwartych z zakresu geografii fizycznej, ekologii i biologii. Analizy ujawniły dużą liczbę cytowań w czasopismach z tzw. Listy Filadelfijskiej...
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Mini-Cave Automatic Virtual Environment Application in Security, Safety, and Defence Studies
PublicationThe aim of the article is to analyse the use of mini-Cave Automatic Virtual Reality Environment (mini-CAVE) in academic studies on security, safety, and defence. The literature review based on Web of Science database and the case study of the War Studies University research activities indicated the mini-CAVE can be used in two areas as a research infrastructure and as a didactic tool. It can be concluded that due to the development...
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Roadmap on dynamics of molecules and clusters in the gas phase
PublicationThis roadmap article highlights recent advances, challenges and future prospects in studies of the dynamics of molecules and clusters in the gas phase. It comprises nineteen contributions by scientists with leading expertise in complementary experimental and theoretical techniques to probe the dynamics on timescales spanning twenty orders of magnitudes, from attoseconds to minutes and beyond, and for systems ranging in complexity...
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Important Facts and Observations about Pairwise Comparisons (the special issue edition)
PublicationThis study has been inspired by numerous requests for clarification from researchers who often confuse Saaty’s Analytic Hierarchy Process (AHP) with the pairwise comparisons (PC) method, taking AHP as the only representation of PC. This study should be regarded as an interpretation and clarification of past investigations of PC. In addition, this article is a reflection on general PC research at a higher level of abstraction: the...
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The effect of laser on metal surfaces for multidisciplinary usage in material and thermal engineering
PublicationThe subject of heat transfer and cooling systems is still a matter of contention in many different fields of science and industry. Infrigidation is much more difficult than warming, and so, much more needed in more and more different devices, starting from massive industrial machinery and air conditioning in commercial buildings, up to micro and nano-surgery tools. In fact, the size of many cooling systems is still a problem. It...
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The Caustic in the Acoustics of Historic Interiors
PublicationIn the paper, caustics are discussed as ordered forms of focus broadening occurring in concave mirrors. Presented are examples of caustics formed in natural conditions and application of the phenomenon in different fields of science and technology. Against this factual background, the possibility to observe caustics in rooms is pointed out. Special emphasis is put on large rooms of historic character, as such interiors frequently...
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An Alternative Proof of a Lower Bound on the 2-Domination Number of a Tree
PublicationA 2-dominating set of a graph G is a set D of vertices of G such that every vertex not in D has a at least two neighbors in D. The 2-domination number of a graph G, denoted by gamma_2(G), is the minimum cardinality of a 2-dominating set of G. Fink and Jacobson [n-domination in graphs, Graph theory with applications to algorithms and computer science, Wiley, New York, 1985, 283-300] established the following lower bound on the 2-domination...
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Elgold partial: Scientific papers' abstracts
Open Research DataThe dataset contains 87 Scientific papers' abstracts in English randomly chosen from the folowing scientific disciplines: Biomedicine, Life Sciences, Mathematics, Medicine, Science, Humanities, Social Science.
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Organisational methods in teaching ergonomics
PublicationCivilisation generates many problems connected with job, which cannot be resolved by one field of science that deals with matters fragmentarily, only from its own point of view. Ergonomics, i.e. synthetic knowledge about job, can solve these problems by using the resources of many fields, e.g. physiology, psychology, technical science or economy. The achievements of these fields are used in ergonomics and thus problems connected...
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In vivo imaging of the human eye using a two-photon excited fluorescence scanning laser ophthalmoscope
PublicationBACKGROUND. Noninvasive assessment of metabolic processes that sustain regeneration of human retinal visual pigments (visual cycle) is essential to improve ophthalmic diagnostics and to accelerate development of new treatments to counter retinal diseases. Fluorescent vitamin A derivatives, which are the chemical intermediates of these processes, are highly sensitive to UV light; thus, safe analyses of these processes in humans...
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Molecular Design Using Selected Concentration Effects in Optically Activated Fluorescent Matrices
PublicationMolecular 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...
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Results of modeling of pharmaceuticals mixtures toxicity with deviation ratio and best-fit functions models using Saccharomyces cerevisiae yeast as model organism
Open Research DataThe research was concerned with verifying the impact of binary mixtures of nine pharmaceuticals against a selected organism, i.e., the yeast Saccharomyces cerevisiae. S cerevisiae is used as a model organism in the monitoring of endocrine disruptors in environmental and reference samples in Xenometrix® systems - XenoScreen®. Tested pharmaceuticals,...
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The XPS studies of the CB-PLA electrodes after different surface treatments (chemical, electrochemical, enzymatic)
Open Research DataThe dataset contains the Xray Photoelectron Spectroscopy results of the studies performed under different conditions of surface activation of the CB-PLA 3D printed electrodes. The activation was performed by hydrolysis in different solvents (DMF, 1M HCl, 1M NaOH), electrolysis in 1M NaOH, enzymatic treatment in polymerase or simultaneous electrolysis...
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Plasmids pMET2M1 and pMET15M1 with the SAT1 Flipper knockout cassette construction
Open Research DataThe goal of the study was to obtain plasmids containing the SAT1 Flipper knockout cassette along with upstream and downstream gene fragments (MET2, MET15) and to introduce a cleavage site for restriction enzymes into them.
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Rafał Leszczyna dr hab. inż.
PeopleDr hab. Rafal Leszczyna is an associate professor at Gdansk University of Technology, Faculty of Management and Economics. He holds the M.Sc. degrees of Computer Science and Business Management. In December, 2006 he earned a Ph.D. in Computer Science, specialisation - Computer Security at the Faculty of Electronics, Telecommunications and Informatics of Gdansk University of Technology. Between 2004 and 2008 he worked in the European...
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Determination of pseudocapacitance chan ges of nickel oxide NiO electrode with use of dynamic electrochemical impedancje spectroscopy
PublicationThe electrochemical capacitors (ECs) are attractive energy storage devices which can be applied in many electronic products (e.g., cameras, laptops, cell phones) or hybrid electric vehicles (HEV). The energy storage in ECs is based on capacitive (the electrical double layer charging/discharging) and pseudocapacitive (additional charge provided by faradic reaction) phenomena. Considering the electrodes exhibiting pseudocapacitance,...
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NLP Questions Answering Using DBpedia and YAGO
PublicationIn this paper, we present results of employing DBpedia and YAGO as lexical databases for answering questions formulated in the natural language. The proposed solution has been evaluated for answering class 1 and class 2 questions (out of 5 classes defined by Moldovan for TREC conference). Our method uses dependency trees generated from the user query. The trees are browsed for paths leading from the root of the tree to the question...
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Modelling of residential sales price with kriging using different distance metrics in different correlation functions
PublicationThe modelling and estimation of sales prices based on economical conditions are important for housing sector especially in developing countries. Analysts are focused on the subject to analyze price movements and estimate the future trend of the sales prices for housing sector. In this study, we tried to generate a robust and efficient model related to the subject. Firstly, we investigated economic variables affecting housing sales...
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Machine learning applied to acoustic-based road traffic monitoring
PublicationThe motivation behind this study lies in adapting acoustic noise monitoring systems for road traffic monitoring for driver’s safety. Such a system should recognize a vehicle type and weather-related pavement conditions based on the audio level measurement. The study presents the effectiveness of the selected machine learning algorithms in acoustic-based road traffic monitoring. Bases of the operation of the acoustic road traffic...
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Analytical procedures for short chain chlorinated paraffins determination - How to make them greener?
PublicationThe aim of the following paper was to gather current scientific information about the analytical protocols dedicated to measuring the content level of short-chain chlorinated paraffins (SCCPs) in various types of environmental samples. Moreover, the data about the basic validation parameters of applied procedures for SCCPs determination are listed. The main issue which is highlighted in the paper is the possibility of the application...
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Social responsibility of universities - the example of AGH University of Science and Technology
PublicationThe key question here is how to achieve a symbiotic relationship between the university and its environment. The evolution of the Polish higher education system since 1990 shows how the mutual relations between the university and its surroundings may change over time. The conclusions published in the OECD report on higher education are juxtaposed with the description of the status quo of the Polish universities and compared with...
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Efektywność naukowa uczelni publicznych
PublicationArtykuł prezentuje kluczowe wnioski z badań będących podstawą raportu "Produktywnośćnaukowa wyższych szkół publicznychw Polsce. Bibliometryczna analizaporównawcza''. W badaniu przeanalizowano grupę291 europejskich uczelni publicznychw latach 1995-2008. W badaniu ujęto34 uczelnie z Polski (uniwersytety orazpolitechniki), porównując ich aktywnośćpublikacyjną do szkół wyższych z Austrii,Finlandii, Niemiec, Włoch, Szwajcariii Wielkiej...
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Tracing of dynamic objects in distributed interactive simulation systems
PublicationDistributed interactive simulation systems require integration of several areas of computer science and applied mathematics to enable each individual simulation object to visualize effectively dynamic states of other objects. Objects are unpredictable,i.e., controlled by their local operators, and are remote, i.e., must rely on some transmission media to visualize dynamic scene from their local perspectives. The paper...
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Are deep eutectic solvents useful in chromatography? A short review
PublicationA literature update has been done concerning Deep Eutectic Solvents (DES) use in chromatography applications. The literature survey was based on the period from 2010 till 2020 and manuscripts reported in the data bases Web of Science and Scopus. The use of DES as mobile phase and mobile phase additives, stationary phases and solid phase modifiers and the use of DES as reaction solvents for chromatography use, were evaluated. Emphasis...
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Application of deep eutectic solvents (DES) in analytical chemistry
PublicationRecent years have been associated with efforts to reduce the impact on the natural environment. A greener approach has been introduced in various areas of science, including analytical chemistry. One of the basic procedures for preparing a sample for analysis is its extraction. Traditional methods involve the use of large amounts of organic compounds, often toxic, with an unfavorable impact on the environment. A representative...
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Dissociation energies of protonated water clusters
PublicationRelative abundances of positively ionized water clusters formed in a low-pressure electrical discharge as function of reduced electric field were obtained by using drift cell and quadrupole mass spectrometer. It was noticed that some clusters say with n = 4 were more abundant than others, at comparable drift conditions. Dissociation energies have been derived from equilibrium conditions for relative clusters abundances. The Hartree-Fock...
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The importance and availability of marine certified reference materials
PublicationTraceability and reliable results are the two pillars of analytical methods; certified reference materials (CRMs) meet this requirement. ISO 17034:2016 credentials provide brief information on general requirements for the competence of Reference Material Producers (RMPs). The different types of CRMs have been produced in recent years for chemical analysis in food, water, soil, and sediment matrices in recent years. This review...
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Results of pharmaceuticals mixtures toxicity on inhibition of bioluminescence of Vibrio fischeri (Microtox)
Open Research DataThe research was concerned with verifying the impact of mixtures of nine pharmaceuticals against a selected organism, i.e., the bacterium Aliivibrio fischeri. A. fisheri is used as a model organism in the monitoring of acute toxicity in environmental and reference samples in Microtox® systems. Tested pharmaceuticals, namely: diclofenac (sodium salt),...
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Inserts amplification for knockout cassette construction
Open Research DataThe goal of the study was to obtain optimal conditions for amplification of upstream and downstream genes fragments and introduce a cleavage site for restriction enzymes into them thanks to which it will be possible to clone fragments into a plasmid containing elements of the knockout cassette. The constructed cassettes will enable the removal of the...
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The electrochemical studies of CB-PLA electrode after surface activation by proteinase K digestion with different times and concentrations
Open Research DataThe dataset contains the electrochemical studies performed to evaluate surface activation of the CB-PLA 3D printed electrodes by enzymatic hydrolysis in a solution containing proteinase K. DIfferent proteinase K concentrations and digestion times were evaluated, as described in subfolder names. The studies were performed before surface activation, during...
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Ultrastructure of the bovine testis in cattle (Bos Taurus)
Open Research DataThe data present research results being part of the OPUS-22 project entitled “In search of new markers of male fertility in cattle. Aquaporins expression in the reproductive organs and sperm of the bulls (Bos taurus)” obtained from the National Science Center in Poland (grant no. 2021/43/B/NZ9/00204).
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Elgold intermediate: raw texts
Open Research DataThe dataset contains raw texts scrapped from various internet sources which were used for creating the Elgold dataset.
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Fracture Energy of Bonded Joints with 2D Elastic Adhesive Layer
PublicationWhen bonded joint is subjected to mode I fracture loading, the adhesive joints analytical solutions treats the adhesive layer, usually, as not existing or 1D Hooke elastic layer. In the case of 1D elastic layer, represented as Hookes spring element, is acting, only, in direction contrary to the applied load. Basing on the information yielded from sensitive laser profilometry technique, where deflections of bonded part of the joint...
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Occurrences, sources, and transport of organochlorine pesticides in the aquatic environment of Antarctica
PublicationWe review information on the concentration levels of organochlorine pesticides in the abiotic aquatic environment (in seawater, sea ice, surface freshwater, snow, firn, and glacial ice) and the organisms inhabiting those, in Antarctica. Particular attention is given to the environmental fate of these pollutants, which modifies their impact on the organisms living in the Antarctic. OCPs have been delivered to the Antarctic environment...
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Corrosion process monitoring by AFM higher harmonic imaging
PublicationThe atomic force microscope (AFM) was invented in 1986 as an alternative to the scanning tunnelling microscope, which cannot be used in studies of non-conductive materials. Today the AFM is a powerful, versatile and fundamental tool for visualizing and studying the morphology of material surfaces. Moreover, additional information for some materials can be recovered by analysing the AFM's higher cantilever modes when the cantilever...
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Dr. Asmaa Mahfoud Al-Hakimi PhD
PeopleDr. ASMA’A MAHFOUD HEZAM AL-HAKIMY from Yemen was born in Egypt 9th October. Received Diploma in Computer Programming in 2006 from University of Science and Technology Sanaa Yemen. Received Bachelor’s Degree in Computer Studies in 2008 from NORTHUMBRIA Newcastle University UK. Received master’s degree in Software Engineering in 2011 from STAFFORDSHIRE University, UK. Received PhD in Software Engineering from Universiti Putra Malaysia....
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Molecular dynamics and verisimilitude - to what extent can one trust a computational simulation?
PublicationFor the last several tens of years, computer simulations have become of undeniable importance. Molecular Dynamics (MD) simulation techniques are used to examine the phenomena which occur at the level that cannot be observed directly. Thus, they can be successfully exploited in many different scientific fields such as: materials science, applied mathematics and theoretical physics, biochemistry, biophysics or drug design. Despite...
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IATUL Seminar 2019 – ważne wydarzenie wpisujące się w rozwój działań Biblioteki Politechniki Gdańskiej na polu współpracy międzynarodowej.
PublicationCelem IATUL Seminar 2019 (Organizing the Open Science Framework – Strategies and Legal Aspects) było podsumowanie aktualnego stanu otwartości w nauce w Polsce i na świecie. Problematyka podejmowana na konferencji skupiała się na przeglądzie polityki repozytoriów instytucjonalnych i usług związanych z zarządzaniem danymi badawczymi. Poruszano także zagadnienia dotyczące aspektów prawnych związanych ze zbieraniem, przechowywaniem...
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Maximum vertex occupation time and inert fugitive: recontamination does help [online]
PublicationRozważamy problem przeszukania danego grafu prostego G w celu przechwycenia niewidocznego i leniwego uciekiniera. Parametrem optymalizacyjnym, który minimalizujemy jest maksymalny czas (liczba tur strategii przeszukiwania), podczas których wierzchołek może być strzeżony (okupowany przez strażnika). Strategia monotoniczna to taka, która nie dopuszcza sytuacji, w której uciekinier dociera do wierzchołka, który wcześniej został oczyszczony....
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Cluster-based instance selection for machine classification
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A note on mixed tree coloring
PublicationZaproponowano liniowy algorytm dla problemu kolorowania mieszanego w drzewach, uzyskując tym samym poprawę w stosunku do algorytmu o złożoności O(n^2) podanego w pracy [P. Hansen, J. Kuplinsky, D. de Werra, Mixed graph colorings, Math. Methods Oper. Res. 45 (1997) 145-160].
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Edge-chromatic sum of trees and bounded cyclicity graphs
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ICT for Global Competitiveness and Economic Growth in Emerging Economies: Economic, Cultural, and Social Innovations for Human Capital in Transition Economies
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Open Source in Development: Enabling Business and Services
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Organizational citizenship behavior of IT professionals: lessons from Poland and Germany
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Remote learning among students with and without reading difficulties during the initial stages of the COVID-19 pandemic
PublicationThis article presents the results of a survey on yet under-researched aspects of remote learning and learning difficulties in higher education during the initial stage (March – June 2020) of the COVID-19 pandemic. A total of 2182 students from University of Warsaw in Poland completed a two-part questionnaire regarding academic achievements in the academic year 2019/2020, living conditions and stress related to learning and pandemic,...
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An approximation algorithm for maximum P3-packing in subcubic graphs
PublicationW pracy podano algorytm 4/3-przyliżony dla trudnego obliczeniowo problemu umieszczania wierzchołkowo rozłącznych dwukrawędziowych ścieżek w grafach o stopniu maksymalnym 3 i stopniu minimalnym 2. Poprawiono tym samym wcześniejsze wyniki dla grafów kubicznych (A. Kelmans, D. Mubayi, Journal of Graph Theory 45, 2004).
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Multiacces quantum communication and product higher rank numerical range
PublicationIn the present paper we initiate the study of the product higher rank numerical range. The latter, being a variant of the higher rank numerical range, is a natural tool for study- ing a construction of quantum error correction codes for multiple access channels. We review properties of this set and relate it to other numerical ranges, which were recently introduced in the literature. Further, the concept is applied to the construction...
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Operating system security by integrity checking and recovery using write-protected storage
PublicationThe paper presents an Integrity Checking and Recovery (ICAR) system which protects file system integrity and automatically restores modified files. The system enables files cryptographic hashes generation and verification, as well as configuration of security constraints. All of the crucial data, including ICAR system binaries, file backups and hashes database are stored in a physically write protected storage to eliminate the...