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wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: COVID-19 MOLECULAR DOCKING MULTI-EPITOPES VACCINESMM-PBSA/MM-GBSA ANALYSIS SARS-COV-2 VARIANTS
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Bariatric Surgery during COVID-19 Pandemic from Patients’ Point of View—The Results of a National Survey
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The significance of the properties of water for the working cycle of the kinesin molecular motor
PublikacjaExplicit solvent molecular dynamics simulations were performed in this study to investigate and discuss several aspects of the influence of the properties of water on the working cycle of a molecular motor from the kinesin superfamily. The main objects of attention were: the binding of the neck linker and the association of the kinesin and the tubulin. The docking of the neck linker is considered a crucial event during the working...
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Molecular Umbrella as A Nanocarrier for Antifungals
PublikacjaA molecular umbrella composed of two O‐sulfated cholic acid residues was applied for the construction of conjugates with cispentacin, containing a “trimethyl lock” (TML) or o‐dithiobenzylcarbamoyl moiety as a cleavable linker. Three out of five conjugates demonstrated antifungal in vitro activity against C. albicans and C. glabrata but not against C. krusei, with MIC90 values in the 0.22–0.99 mM range and were not hemolytic. Antifungal...
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A fast time-frequency multi-window analysis using a tuning directional kernel
PublikacjaIn this paper, a novel approach for time-frequency analysis and detection, based on the chirplet transform and dedicated to non-stationary as well as multi-component signals, is presented. Its main purpose is the estimation of spectral energy, instantaneous frequency (IF), spectral delay (SD), and chirp rate (CR) with a high time-frequency resolution (separation ability) achieved by adaptive fitting of the transform kernel. We...
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New 2-[(4-Amino-6-N-substituted-1,3,5-triazin-2-yl)methylthio]-N-(imidazolidin-2-ylidene)-4-chloro-5-methylbenzenesulfonamide Derivatives, Design, Synthesis and Anticancer Evaluation
PublikacjaIn the search for new compounds with antitumor activity, new potential anticancer agents were designed as molecular hybrids containing the structures of a triazine ring and a sulfonamide fragment. Applying the synthesis in solution, a base of new sulfonamide derivatives 20–162 was obtained by the reaction of the corresponding esters 11–19 with appropriate biguanide hydrochlorides. The structures of the compounds were confirmed...
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Financial Analysis exercises - New
Kursy OnlineTo obtain theoretical and practical experience of financial and economic analysis. Methods of economic analysis: Elements of production and human resources analysis, tangible assets analysis, inventory analysis, which would enable to understand the business case, to measure them and find suitable decision. To obtain theoretical and practical experience of financial analysis.
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Equivalent Single Layer Models in Free Vibration Analysis of Laminated Multi-Layered Plates
PublikacjaThe performance of selected equivalent single-layer (ESL) models is evaluated within several classical benchmark tests for small amplitude free vibration analysis of multi-layered plates. The authors elaborated their own Finite Element software based on the first-order shear deformation (FOSD) theory with some modifications incorporated including a correction of the transverse shear stiffness and an application of zigzag type functions....
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Collaborative development model and strategies of multi-energy industry clusters: Multi-indicators analysis affecting the development of coastal energy clusters
PublikacjaThe paper explores Coastal Energy-Based Industrial Clusters (EBICs) and their role in advancing energy efficiency and sustainability through collaborative innovation. Economic growth theory and energy sustainability have been introduced into industrial clusters to illustrate indicators that have a greater impact on the development of EBICs. This paper proposes an EBICs development model based on the Cobb-Douglas function, in which...
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Molecular geometry of hexachlorobenzene
Dane BadawczePresented data shows molecular geometry of the ground singlet state of hexachlorobenzene and hexachlorobenzene with potassium atom in 10 angstrom distance. The geometry was obtained via MP2 and CCSD calculations using balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.
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15th Conference on Calorimetry and Thermal Analysis
WydarzeniaDear Participants, we are very pleased to present the profiles of the Keynote Speakers of the 15th Conference on Calorimetry and Thermal Analysis. For this reason, we are extending the registration deadlines. The deadline for closing applications for CCTA15 is July 1, 2024 (details). The 15th Conference on Calorimetry and Thermal Analysis...
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Molecular basis and potential activity of HIV-1 reverse transcriptase toward trimethylamine-based compounds
PublikacjaReverse transcriptase (RT) inhibitors are currently used to treat human immunodeficiency virus (HIV)-1 infections. In this work, novel triethylamine derivatives were designed and studied by rigid and flexible docking and molecular dynamics (MD) approaches. An apo form of HIV-1 RT was also studied by MD simulation to analyze comparative response of protein in ligand-bound and ligand-unbound forms. Among newly designed HIV-1 RT inhibitors,...
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Editorial: Knowledge management and ontologies. Part 2
PublikacjaPrzedstawiono najnowsze kierunki badań w zakresie obszaru zarządzania wiedzą i ontologicznej reprezentacji wiedzy.
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New variants of the SDF classifier
PublikacjaPraca dotyczy problemów związanych z konstruowaniem klasyfikatorów, w których typowa wektorowa reprezentacja obrazu została zastapiona danymi o strukturze macierzowej. W pracy zaproponowano nowe algorytmy oparte na funkcji SDF. Zostały one przetestowane na obrazach przedstawiających cyfry pisane ręcznie oraz na zdjęciach twarzy. Przeprowadzone eksperymenty pozwalają stwierdzić, że wprowadzone modyfikacje istotnie zwiększyły skuteczność...
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MOLECULAR PHYSICS
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Reactions of tBu2P-PLi-P(tBu)2 with [(Et3P)2MCl2] (M = Ni, Pd, Pt). Synthesis and properties of [(1,2-h-tBu2P=P-P(tBu)2)M(PEt3)Cl] (M=Ni, Pd)
PublikacjatBu2P-PLi-P(tBu)2*2THF reaguje z [(Et3P)2MCl2] (M = Ni, Pd) dając odpowiednio [(1,2-h-tBu2P=P-P(tBu)2)Ni(PEt3)Cl] i [(1,2-h-tBu2P=P-P(tBu)2)Pd(PEt3)Cl]. Związek tBu2P-PLi-P(tBu)2 utlenia się i ligand tBu2P-P-P(tBu)2 przyjmuje w produktach strukturę bocznie związanego kationu z krótkim wiązaniem P-P. Reakcja ze związkami platyny nie dała oczekiwanych produktów.
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Ammine(2-ethylpyridine-κN)bis(tri-tert-butoxysilanethiolato-κS)cobalt(II)
PublikacjaTytułowy związek [Co(C12H27O3SSi)2(C7H9N)(NH3)] został otrzymany w reakcji dimerycznego amoniakalnego tri-tert-butoksysilanotiolanu kobaltu(II) z 2-etylopirydyną. Atom kobaltu w otrzymanym związku jest koordynowany przez dwa atomy siarki, jedną resztę 2-etylopirydyny i jedną cząsteczkę amoniaku. Dzięki specyficznemu przestrzennemu ustawieniu ligandów, dodatkowo tworzy się wiązanie wodorowe wewnątrz cząsteczkowe N-H - S
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Processing and Maturation of Cathepsin C Zymogen: A Biochemical and Molecular Modeling Analysis
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Albumin–Hyaluronan Interactions: Influence of Ionic Composition Probed by Molecular Dynamics
PublikacjaThe lubrication mechanism in synovial fluid and joints is not yet fully understood. Nevertheless, intermolecular interactions between various neutral and ionic species including large macromolecular systems and simple inorganic ions are the key to understanding the excellent lubrication performance. An important tool for characterizing the intermolecular forces and their structural consequences is molecular dynamics. Albumin...
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WPŁYW PANDEMII COVID-19 NA OBCIĄŻENIE POLSKIEGO SYSTEMU ELEKTROENERGETYCZNEGO ORAZ POTENCJAŁ WYKORZYSTANIA USŁUGI DSR
PublikacjaW artykule przedstawiono wpływ restrykcji w funkcjonowaniu przemysłu, handlu i życia społecznego na obciążenie KSE podczas pierwszego lockdownu. W celu zbadania wpływu pandemii na obciążenie KSE dokonano analizy porównawczej dwóch analogicznych okresów trwających od połowy marca do końca maja w latach 2017 - 2019 i 2020. Porównano wartości charakteryzujące poszczególne tygodnie rozpatrywanego okresu. W roku 2020 zaobserwowano znaczne...
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‘Who Else If Not We’. Medical Students’ Perception and Experiences with Volunteering during the COVID-19 Crisis in Poznan, Poland
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“We are also here”—Spiritual Care Practitioners’ Experiences of the COVID-19 Pandemic: A Qualitative Study from Poland
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Low symptomatic COVID-19 in an elderly patient with follicular lymphoma treated with rituximab-based immunotherapy: A case report
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COVID-19 pandemic fear, life satisfaction and mental health at the initial stage of the pandemic in the largest cities in Poland
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A 10-Year-old Girl With Late Acute Lymphoblastic Leukemia Recurrence Diagnosed With COVID-19 and Treated With Remdesivir
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Updated principles of prevention, diagnosis and treatment of COVID-19 in children in Poland – recommendations for paediatricians and family medicine doctors
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Effects of the COVID-19 pandemic on the environment, waste management, and energy sectors: a deeper look into the long-term impacts
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30‐Day morbidity and mortality of bariatric metabolic surgery in adolescence during the COVID‐19 pandemic – The GENEVA study
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Exploring COVID-19 conspiracy theories: education, religiosity, trust in scientists, and political orientation in 26 European countries
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Multi-Criterial Design of Antennas with Tolerance Analysis Using Response-Feature Predictors
PublikacjaImperfect manufacturing is one of the factors affecting the performance of antenna systems. It is particularly important when design specifications are strict and leave a minimum leeway for a degradation caused by geometry or material parameter deviations from their nominal values. At the same time, conventional antenna design procedures routinely neglect to take the fabrication tolerances into account, which is mainly a result...
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Jacek Tomków dr hab. inż.
OsobyWykształcenie:1. 2018 r.Doktor inżynier - Politechnika Gdańska, Wydział Mechaniczny, Inżynieria Materiałowa,rozprawa doktorska: Wpływ warunków spawania pod wodą na skłonność do tworzenia pęknięć zimnych w stalach o podwyższonej wytrzymałości 2. 2012 r.Magister inżynier - Politechnika Gdańska, Wydział Mechaniczny, Mechanika i Budowa Maszyn, specjalność: Technologia Maszyn i Komputerowe Wspomaganie Produkcji,praca magisterska: Badania...
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Effect of cyclodextrins on coupling of o-ethoxybenzenediazonium salt with pyrrole, imidazole and 2-methylimidazole
PublikacjaBadano wpływ B-cyklodekstryny na reakcje sprzęgania soli o-etoksybenzenodiazoniowych z pirolem, imidazolem i 2-metyloimidazolem. Porównano wydajności produktów sprzęgania wyizolowanych w poszczególnych reakcjach. W przypadku reakcji z pirolem i imidazolem prowadzonych z udziałem cyklodekstryny zaobserwowano spadek wydajności produktów sprzęgania, podczas gdy w reakcji z 2-metyloimidazolem obecność cyklodekstryny stymulowała powstawanie...
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Photochemical Rearrangement of a 19-Membered Azoxybenzocrown: Products and their Properties
PublikacjaThe preparation and characterization of products of the chemical and photochemical rearrangements of a 19-membered o,o'-azoxybenzocrown were presented. In photochemical rearrangement, besides expected product i.e. 19-membered o-hydroxy-o,o'-azobenzocrown (19-o-OH), obtained under defined conditions with 75% yield, also other macrocyclic products were isolated and identified, namely: 19-membered p-hydroxy-o,o'-azobenzocrown (19-p-OH),...
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Study of the Effectiveness of Model Order Reduction Algorithms in the Finite Element Method Analysis of Multi-port Microwave Structures
PublikacjaThe purpose of this paper is to investigate the effectiveness of model order reduction algorithms in finite element method analysis of multi-port microwave structures. Consideration is given to state of the art algorithms, i.e. compact reduced-basis method (CRBM), second-order Arnoldi method for passive-order reduction (SAPOR), reduced-basis methods (RBM) and subspace-splitting moment-matching MOR (SSMM-MOR)
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Comparative molecular modelling of biologically active sterols
PublikacjaMembrane sterols are targets for a clinically important antifungal agent – amphotericin B. The relatively specific antifungal action of the drug is based on a stronger interaction of amphotericin B with fungal ergosterol than with mammalian cholesterol. Conformational space occupied by six sterols has been defined using the molecular dynamics method to establish if the conformational features correspond to the preferential interaction...
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Molecular geometry of phenylboronic acid
Dane BadawczeData presents molecular geometry of the ground singlet state of phenylboronic acid. The geometry was obtained via DFT calculations using Becke–Lee–Yang–Parr density functional (B3LYP) with the balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.
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Financial Analysis exercises - New (copy)
Kursy OnlineTo obtain theoretical and practical experience of financial and economic analysis. Methods of economic analysis: Elements of production and human resources analysis, tangible assets analysis, inventory analysis, which would enable to understand the business case, to measure them and find suitable decision. To obtain theoretical and practical experience of financial analysis.
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Cobalt(II) and Cobalt(III) Tri‐tert‐butoxysilanethiolates. Synthesis, Properties, Crystal and Molecular Structures of [Co{μ‐SSi(OBut)3}{SSi(OBut)3}(NH3)]2 and [Co{SSi(OBut)3}2(NH3)4][SSi(OBut)3] Complexes
PublikacjaThe heteroleptic neutral tri‐tert‐butoxysilanethiolate of cobalt(II) incorporating ammonia as additional ligand (1) has been prepared by the reaction of a cobalt(II) ammine complex with tri‐tert‐butoxysilanethiol in water. Complex 1, dissolved in hexane, undergoes oxidation in an ammonia saturated atmosphere to the ionic cobalt(III) compound 2. Molecular and...
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Decisions Analysis 2023/2024
Kursy OnlineThis is content to the subject: "Decisions Analysis" to be used as a template for futher courses.
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Qualitative data analysis methods
Kursy OnlineThis is the continuation of Qualitatative Data Analysis Methods course provided online
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The OptD-multi method in LiDAR processing
PublikacjaNew and constantly developing technology for acquiring spatial data, such as LiDAR (light detection and ranging), is a source for large volume of data. However, such amount of data is not always needed for developing the most popular LiDAR products: digital terrain model (DTM) or digital surface model. Therefore, in many cases, the number of contained points are reduced in the pre-processing stage. The degree of reduction is determined...
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Multi-response optimization on the effect of wet and eco-friendly cryogenic turning of D2 steel using Taguchi-based grey relational analysis
PublikacjaMaterial removal processes, including turning and milling, are still commonly used operations for manufacturing most of mechanical components in modern industry. Apart from the cutting parameters, the cooling method has the great impact on the technological efects and, above all, on the environmental friendliness of production. In this study, multi-response optimization on the efect of wet and cryogenic machining is performed during...
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Shape resonance of H[sub 2][sup −] anion stabilized in a molecular trap
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Analytical data on molecular umbrella: cispentacin and molecular umbrella: fluorescent probe conjugates
Dane BadawczeAnalytical data (NMR, MS, FTIR) for nine conjugates of molecular umbrella with cispentacin, Lys(Mca) or Nap-NH2. The conjugates have been rationally designed as potential antifungal agents. 1H NMR and 13C NMR spectra were obtained at 500 MHz Varian Unity Plus spectrometer and the deuterated solvents were used as internal locks. High-resolution mass...
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How to teach pharmacology to medical students during the COVID-19 pandemic? Students’ perceptions of novel, online forms of teaching
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Does Religion Influence the Motivations of Future Healthcare Professionals to Volunteer During the COVID-19 Pandemic in Poland? An Exploratory Study
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COVID-19 vaccine booster hesitancy (VBH) of healthcare professionals and students in Poland: Cross-sectional survey-based study
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A tendency to worse course of multisystem inflammatory syndrome in children with obesity: MultiOrgan Inflammatory Syndromes COVID-19 related study
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Sports Elite Means Vaccine Elite? Concerns and Beliefs Related to COVID-19 Vaccines among Olympians and Elite Athletes
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Psychological distress among healthcare students in Poland from COVID-19 to war on Ukraine: a cross-sectional exploratory study
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Patient in the otolaryngology office in the time of the COVID-19 pandemic in the light of current recommendations, legal regulations and authors’ own experience
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