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Wyniki wyszukiwania dla: covid-19 molecular docking multi-epitopes vaccinesmm-pbsa/mm-gbsa analysis sars-cov-2 variants
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Molecular structures of two E-azobenzocrown ethers
PublikacjaRentgenowska analiza strukturalna monokryształów posłużyła do scharakteryzowania struktury izomerów E dwóch azobenzokoron: 13- i 16-członowej. Oba związki krystalizują w układzie jednoskośnym. W komórce elementarnej, w każdym przypadku znajdują się dwie niezależne cząsteczki, różniące się konformacją, szczególnie łańcucha eterowego. Porównując konformacje ''wolnych'' makrocykli z konformacjami ich kompleksów z jonami metali wskazano,...
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Selected manufacturing difficulties encountered during setup of machining on cnc multi-axis linear automatic lathe and on cnc multi-spindle turning centers
PublikacjaThe article presents the observed manufacturing technology implementation difficulties in workshop practice, resulting from the construction and principles of operation on the DMG’s SPRINT 32/5 CNC linear automatic lathe and on the Mazak’s HQR 150 MSY and QTN 200 MS CNC turn - mill centers, and discusses possible rules for solving the production problems encountered. The article also discusses the principles of dividing the machining...
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Molecular basis of lipopolysaccharide heterogeneity in Escherichia coli: envelope stress-responsive regulators control the incorporation of glycoforms with a third 3-deoxy-α-D-manno-oct-2-ulosonic acid and rhamnose.
PublikacjaMass spectrometric analyses of lipopolysaccharide (LPS) from isogenic Escherichia coli strains with nonpolar mutations in the waa locus or overexpression of their cognate genes revealed that waaZ and waaS are the structural genes required for the incorporation of the third 3-deoxy-α-D-manno-oct-2-ulosonic acid (Kdo) linked to Kdo disaccharide and rhamnose, respectively. The incorporation of rhamnose requires prior sequential incorporation...
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MULTI-CRITERIA MODEL IN MULTIFUNCTIONAL BUILDING SYSTEM DESIGN PROCESS
PublikacjaThe paper presents a multi-criteria approach in multifunctional building system design process. The aim is to develop a theory relative to the engineering system of multifunctional with a mathematical representation defined by a holistic network for the lifecycle of the designed object. The idea of work was to define the structure of a complex system. Background for the presented field is to develop a design strategy for multifunctional...
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Non-isolating 2-bondage in graphs
PublikacjaA 2-dominating set of a graph G=(V,E) is a set D of vertices of G such that every vertex of V(G)D has 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. The non-isolating 2-bondage number of G, denoted by b_2'(G), is the minimum cardinality among all sets of edges E' subseteq E such that delta(G-E') >= 1 and gamma_2(G-E') > gamma_2(G)....
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A Multi-Fidelity Surrogate-Model-Assisted Evolutionary Algorithm for Computationally Expensive Optimization Problems
PublikacjaIntegrating data-driven surrogate models and simulation models of different accuracies (or fideli-ties) in a single algorithm to address computationally expensive global optimization problems has recently attracted considerable attention. However, handling discrepancies between simulation models with multiple fidelities in global optimization is a major challenge. To address it, the two major contributions of this paper include:...
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Molywood: streamlining the design and rendering of molecular movies
PublikacjaMotivation High-quality dynamic visuals are needed at all levels of science communication, from the conference hall to the classroom. As scientific journals embrace new article formats, many key concepts – particularly in structural biology – are also more easily conveyed as videos than still frames. Notwithstanding, the design and rendering of a complex molecular movie remain an arduous task. Here, we introduce Molywood, a robust...
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WM - IMM gr. 2 - Matematyka II 2018/19 (M.Kula)
Kursy Online -
WILiŚ - Bud. sem.2 - Liczby zespolone 2018/19 (J.Dymkowska)
Kursy Online -
WOiO - Oce sem.2 - Liczby zespolone 2018/19 (C.Mrozicki)
Kursy Online -
WILiŚ - IŚ sem.2 - Liczby zespolone 2018/19 (C.Mrozicki)
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Equivalent single-layer models in deformation analysis of laminated multilayered plates
PublikacjaThe performance of selected Equivalent Single-Layer (ESL) models is evaluated within several classical benchmark tests for linear static analysis of multi-layered plates. The authors elaborated their own Finite Element software based on the first-order shear deformation theory (FOSD) with some modifications incorporated including a correction of the transverse shear stiffness and an application of zig-zag type functions. Seven...
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Emilia Miszewska dr inż.
OsobyEmilia Miszewska urodziła się w 1986 roku w Gdańsku. Ukończyła Szkołę Podstawową nr 17 w Gdańsku z klasami sportowymi o profilu pływanie oraz Liceum Sportowe nr 11 im. Janusza Kusocińskiego w Gdańsku. W 2005 roku rozpoczęła jednolite studia magisterskie na Wydziale Inżynierii Lądowej i Środowiska, które ukończyła w roku 2011, broniąc pracę dyplomową pt. „Analiza i opracowanie wytycznych zabezpieczenia pożarowego oraz planu...
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Synthesis and molecular structure of novel 2-(alkylthio)-4-chloro-N-(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamideswith potential anticancer activity
PublikacjaOtrzymano 15 nowych związków: 2-(alkilotio)-4-chloro-N-(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-5-metylobenzenosulfonamidów, dla których opracowano nową metodę syntezy. Dla jednej pochodnej wyznaczono strukturę rentgenowską. Związek nr 36 wykazuje wysoką aktywność przeciwnowotworową w stosunku do 13 linii komórek nowotworowych o poziomie GI_50 w zakresie stężeń 1,9-3,0 μM.
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PHYTOCHEMICAL ANALYSIS
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Telomerase inhibition - unfulfilled hopes in the perfect molecular target
PublikacjaTelomerase plays a pivotal role in cell proliferation, homeostasis, and neoplastic transformation, making it a promising molecular target for cancer chemotherapy. Of note, although hTERT has been explored thoroughly as a target, none of the promising molecules has been approved as a drug until now. The subject of research conducted as part of my doctoral dissertation is explaining the cellular and molecular mechanism of action...
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Multi-factor fuzzy sets decision system forecasting consumer insolvency risk
PublikacjaThe objective of this study is to develop a multi-factor decision system predicting insolvency risk for natural persons with the use of fuzzy sets. Considering that the financial situation of households is affected by various endogenous and exogenous factors, the main assumption of this study is that the system for predicting financial difficulties should not be limited to the use of only a few financial variables concerning consumers,...
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UNRES-Dock—protein–protein and peptide–protein docking by coarse-grained replica-exchange MD simulations
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CCDC151 Mutations Cause Primary Ciliary Dyskinesia by Disruption of the Outer Dynein Arm Docking Complex Formation
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The Synthesis of 3-Amino-pyrazine-2-carbohydrazide and 3-Amino-N'-methylpyrazine-2-carbohydrazide Derivatives
PublikacjaW poszukiwaniu biologicznie aktywnych związków otrzymano szereg pochodnych 3-Amino-pirazyno-2-karbohydrazydu i 3-Amino-N'-metylopirazyno-2-karbohydrazydu w wyniku reakcji hydrazydu aminopirazynoinowegokwasu z izocyjanianami, aldehydami, ketonami, CS2 i kwasem mrówkowym.
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Functional and spatial structure analysis – Lower Sopot (Dolny Sopot) district case study, study proposal no 2, February 2021
Dane BadawczeThe data presents results of work within the studies of the conditions of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 2, from February 2021. The goal of the research process was to present the functional and spatial structure analysis of the area located in Lower Sopot (Dolny Sopot) district in the...
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Multi-core and Multiprocessor Implementation of Numerical Integration in Finite Element Method
PublikacjaThe paper presents techniques for accelerating a numerical integration process which appears in the Finite Element Method. The acceleration is achieved by taking advantages of multi-core and multiprocessor devices. It is shown that using multi-core implementation with OpenMP and a GPU acceleration using CUDA architecture allows one to achieve the speedups by a factor of 5 and 10 on a CPU and GPUs, respectively.
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Self-Association of Amphotericin B: Spontaneous Formation of Molecular Structures Responsible for the Toxic Side Effects of the Antibiotic
PublikacjaAmphotericin B (AmB) is a lifesaving antibiotic used to treat deep-seated mycotic infections. Both the pharmaceutical activity and highly toxic side effects of the drug rely on its interaction with biomembranes, which is governed by the molecular organization of AmB. In the present work we present detailed analysis of self-assembly of AmB molecules in different environments, interesting from the physiological standpoint, based...
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Mass spectrometry-based serum proteome pattern analysis in molecular diagnostics of early stage breast cancer
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TiCoCrFeMn (BCC + C14) High-Entropy Alloy Multiphase Structure Analysis Based on the Theory of Molecular Orbitals
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Analysis of spectral data by complementary methods. Inspection of the molecular complex in N,N-dimethylformamide - methanol mixtures
PublikacjaDane widmowe FTIR mieszanin N,N-dimetyloformamidu z metanolem poddano anlizie faktorowej oraz analizie metodą ważonych widm różnicowych. Przydatność obu metod analizy w odniesieniu do układów z wiązaniem wodorowym poddano krytycznej dyskusji. Stwierdzono obecność kompleksu molekularnego typu 1:1 w całym zakresie składów mieszanin. Forma tego kompleksu zależy jednak od składu roztworu. Postulowano występowanie słabych wiązań wodorowych...
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Molecular basis and quantitative assessment of TRF1 and TRF2 protein interactions with TIN2 and Apollo peptides
PublikacjaShelterin is a six-protein complex (TRF1, TRF2, POT1, RAP1, TIN2, and TPP1) that also functions in smaller subsets in regulation and protection of human telomeres. Two closely related proteins, TRF1 and TRF2, make high-affinity contact directly with double-stranded telomeric DNA and serve as a molecular platform. Protein TIN2 binds to TRF1 and TRF2 dimer-forming domains, whereas Apollo makes interaction only with TRF2. To elucidate...
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Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations
PublikacjaInteraction between 2, 3, 5 and 7 atomic layers of gold and a (111) silicon surface was investigated with the molecular dynamics simulation method. The simulation of the diffusion interaction between gold and silicon in the temperature range 425-925 K has been carried out. The peculiarities of the concentration changes of the interacting components and the atomic density at the boundary...
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1,3-Dibenzylimidazolidine-2-thione
PublikacjaW strukturze 1,3-Dibenzylimidazolidino-2-tionu w ciele stałym pierścień imidazolidy występuje w konformacji skręconej (Twisted). Stwierdzono obecność oddziaływań międzycząsteczkowych (typu π-π stacking) pomiędzy pierścieniami fenylowymi reszt benzylowych.
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Modeling a Traffic Remapping Attack Game in a Multi-hop Ad Hoc Network
PublikacjaIn multi-hop ad hoc networks, selfish nodes may unduly acquire high quality of service (QoS) by assigning higher priority to source packets and lower priority to transit packets. Such traffic remapping attacks (TRAs) are cheap to launch, impossible to prevent, hard to detect, and harmful to non-selfish nodes. While studied mostly in single-hop wireless network settings, TRAs have resisted analysis in multi-hop settings. In this paper...
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Automatic Breath Analysis System Using Convolutional Neural Networks
PublikacjaDiseases related to the human respiratory system have always been a burden for the entire society. The situation has become particularly difficult now after the outbreak of the COVID-19 pandemic. Even now, however, it is not uncommon for people to consult their doctor too late, after the disease has developed. To protect patients from severe disease, it is recommended that any symptoms disturbing the respiratory system be detected...
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Automatic Breath Analysis System Using Convolutional Neural Networks
PublikacjaDiseases related to the human respiratory system have always been a burden for the entire society. The situation has become particularly difficult now after the outbreak of the COVID-19 pandemic. Even now, however, it is common for people to consult their doctor too late, after the disease has developed. To protect patients from severe disease, it is recommended that any symptoms disturbing the respiratory system be detected as...
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Numerical investigation on dynamic performance of a multi-storey steel structure model and comparison with experimental results
PublikacjaShaking table testing is the most commonly adopted method to simulate earthquake forces. This approach allows us to analyze the dynamic performance and provides a valuable insight into the dynamics of building structures, which helps to improve their future safety and reliability. The present study aims to conduct a numerical evaluation of dynamic response of a multi-storey steel structure model, which was previously examined during...
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Numerical Investigation on Dynamic Performance of a Multi-storey Steel Structure Model and Comparison with Experimental Results
PublikacjaShaking table testing is the most commonly adopted method to simulate earthquake forces. This approach allows us to analyze the dynamic performance and provides a valuable insight into the dynamics of building structures, which helps to improve their future safety and reliability. The present study aims to conduct a numerical evaluation of dynamic response of a multi-storey steel structure model, which was previously examined during...
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Properties of an innovative multi-functional finish for the improvement of indoor air quality
PublikacjaDue to lifestyle changes, people spend most of their time indoors at present; thus, Indoor Air Quality (IAQ) is a matter of utmost importance. Multi-functional and innovative finishes can help to passively improve the IAQ, benefitting the health and comfort of occupants. For this study, reference and pre-mixed commercial mortars are compared to a new multi-functional hydraulic lime mortar for indoor finishes, in which conventional...
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Minimal 2-dominating sets in Trees
PublikacjaWe provide an algorithm for listing all minimal 2-dominating sets of a tree of order n in time O(1.3247^n). This leads to that every tree has at most 1.3247^n minimal 2-dominating sets. We also show that thisbound is tight.
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Aktualne Problemy w Elektroenergetyce” – APE’19
WydarzeniaWydział Elektrotechniki i Automatyki Politechniki Gdańskiej, Katedra Elektroenergetyki zaprasza do udziału w XIX Konferencji Naukowej „Aktualne Problemy w Elektroenergetyce” – APE’19
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TaRh 2 B 2 and NbRh 2 B 2 : Superconductors with a chiral noncentrosymmetric crystal structure
PublikacjaIt is a fundamental truth in solid compounds that the physical properties follow the symmetry of the crystal structure. Nowhere is the effect of symmetry more pronounced than in the electronic and magnetic properties of materials—even the projection of the bulk crystal symmetry onto different crystal faces is known to have a substantial impact on the surface electronic states. The effect of bulk crystal symmetry on the properties...
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Synthetic strategies in construction of organic low molecular-weight carrier-drug conjugates
PublikacjaInefficient transportation of polar metabolic inhibitors through cell membranes of eukaryotic and prokaryotic cells precludes their direct use as drug candidates in chemotherapy. One of the possible solutions to this problem is application of the ‘Trojan horse’ strategy, i.e. conjugation of an active substance with a molecular carrier of organic or inorganic nature, facilitating membrane penetration. In this work, the synthetic...
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Bio‐polyols synthesized by liquefaction of cellulose: Influence of liquefaction solvent molecular weight
PublikacjaCurrently, the plastics industry including polyurethanes is based on the use of petrochemicals. For this reason, scientists are looking for new types of renewable resources for the substitution of petrochemical substances. This work aims to evaluate the effect of polyethylene glycols (PEG) with different molecular mass impact on properties of bio-based polyols synthesized via biomass liquefaction of cellulose. To date, research...
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Piotr Paradowski dr
OsobyDr Piotr Paradowski's areas of expertise in quantitative social science methods include truncated and censored models, quantile regressions, survival analysis, panel data models, discrete regressions and qualitative choice models, instrumental variable estimation, and hierarchical modeling. He is also an expert in statistical matching and statistical methods to handle missing data. In addition, he conducts research on income and...
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Gender approach to multi-objective optimization of detection systems by pre-selection of criteria
PublikacjaA novel idea of performing evolutionary computations for solving highly-dimensional multi-objective optimization (MOO) problems is proposed. The information about individual genders is applied. This information is drawn out of the fitness of individuals and applied during the parental crossover in the evolutionary multi-objective optimization (EMO) processes. The paper introduces the principles of the genetic-gender approach (GGA)...
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Gender approach to multi-objective optimization of detection systems by pre-selection of criteria
PublikacjaA novel idea of performing evolutionary computations for solving highly-dimensional multi-objective optimization (MOO) problems is proposed. The information about individual genders is applied. This information is drawn out of the fitness of individuals and applied during the parental crossover in the evolutionary multi-objective optimization (EMO) processes. The paper introduces the principles of the genetic-gender approach (GGA)...
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Gender approach to multi-objective optimization of detection systems by pre-selection of criteria
PublikacjaA novel idea of performing evolutionary computations for solving highly-dimensional multi-objective optimization (MOO) problems is proposed. The information about individual genders is applied. This information is drawn out of the fitness of individuals and applied during the parental crossover in the evolutionary multi-objective optimization (EMO) processes. The paper introduces the principles of the genetic-gender approach (GGA)...
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Structural Insights into Autoreactive Determinants in Thyroid Peroxidase Composed of Discontinuous and Multiple Key Contact Amino Acid Residues Contributing to Epitopes Recognized by Patients’ Autoantibodies
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Redox State Sensitive Spectroscopy of the Model Compound [(H-dcbpy)(2)Ru-II(NCS)(2)](2-) (dcbpy=2,2 '-Bipyridine-4,4 '-dicarboxylato)
PublikacjaThe charge transfer reaction mechanism in a ruthenium polypyridine model complex with isothiocyanato ligands, i.e., [(H-dcbpy)(2)Ru(NCS)(2)](2-) 2Bu(4)N(+) (Ru2H) (dcbpy = 2,2'-bipyridine-4,4'-dicarboxylato), has been investigated by combining UV-vis absorption, resonance Raman spectroscopy, and electrochemical methods. Understanding the photophysics of light-harvesting complexes of this class is an indispensable prerequisite to...
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Ontology management in the multi-agent system for the it evaluation
PublikacjaThe team of researchers at the Gdańsk University of Technology is currently developing a model of the multi-agent system (MAS_IT) that would aid the IT managers to find the most appropriate technology to the goals assumed. The knowledge is to be provided by experts and stored in the facts and rules bases. The responsibility of the verification process-on the input and query stages-is given to the ontology, making it to some extend...
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Molecular Biology of Meniscal Healing: A Narrative Review
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Iwona Nowakowska dr
OsobyAdiunkt badawczo-dydaktyczny w Instytucie Psychologii Akademii Pedagogiki Specjalnej im. Marii Grzegorzewskiej w Warszawie. Absolwentka psychologii (Uniwersytet Warszawski, 2019), doktor nauk społecznych w dyscyplinie psychologia (Akademia Pedagogiki Specjalnej im. Marii Grzegorzewskiej, 2022). Prowadziła badania w obszarach: pogranicza psychologii społecznej i klinicznej oraz społecznej i różnic indywidualnych. Obecna aktywność...
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Syntheses and structures of the first terminal phosphanylphosphido complex of hafnium [cp2hf(cl){η1-(me3si)p-p(net2)2}] and the firstzirconocene-phosphanylphosphinidene dimer [cp2zr{μ2-p-p(net2)2}2zrcp2]
PublikacjaReactions of (Et2N)2P-P(SiMe3)Li with [Cp2MCl2] (M= Zr, Hf) in toluene or pentane yield the related terminal phosphanylphosphido complexes [Cp2M(Cl){η1-(Me3Si)P-P(NEt2)2}]. The solid statestructure of [Cp2Hf(Cl){η1-(Me3Si)P-P(NEt2)2}] was established by single crystal X-ray diffraction. The reaction of (Et2N)2P-P(SiMe3)Li with [Cp2ZrCl2] in THF or DME solutions leads to the formationof deep red crystals of the first neutral diamagnetic...