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Search results for: conformational entropy
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Unifying Aspects of Generalized Calculus
PublicationNon-Newtonian calculus naturally unifies various ideas that have occurred over the years in the field of generalized thermostatistics, or in the borderland between classical and quantum information theory. The formalism, being very general, is as simple as the calculus we know from undergraduate courses of mathematics. Its theoretical potential is huge, and yet it remains unknown or unappreciated.
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Hidden Tensor Structures
PublicationAny single system whose space of states is given by a separable Hilbert space is automatically equipped with infinitely many hidden tensor-like structures. This includes all quantum mechanical systems as well as classical field theories and classical signal analysis. Accordingly, systems as simple as a single one-dimensional harmonic oscillator, an infinite potential well, or a classical finite-amplitude signal of finite duration...
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Spectrum Sensing Based on Hybrid Spectrum Handoff in Cognitive Radio Networks
PublicationThe rapid advancement of wireless communication combined with insufficient spectrum exploitation opens the door for the expansion of novel wireless services. Cognitive radio network (CRN) technology makes it possible to periodically access the open spectrum bands, which in turn improves the effectiveness of CRNs. Spectrum sensing (SS), which allows unauthorized users to locate open spectrum bands, plays a fundamental part in CRNs....
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Limes. Studia i materiały z dziejów Europy Środkowo-Wschodniej
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Sztuka Europy Wschodniej / Искусство Восточной Европы / Art of the East Europe
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School psychologist’s interventions to promote successful school re-entry of chronically ill children aiming at altering peers’ attitudes towards them
PublicationThe aim of this article is to outline school psychologist’s interventions, which might be useful while supporting a chronically, somatically ill child in their re-entry to school, aiming at broadening their peers’ knowledge about the chronic disease and positively changing their attitudes towards the ill child. In the first part, the importance of peer relationships in childhood and adolescence, the relation of their quality...
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Interaction between acoustic and non-acoustic mode in bubbly liquid
PublicationThe nonlinear interaction of acoustic and entropy modes in a bubbly liquid is the subject of investigation. Thedynamic equation governing an excess density of the entropy mode is derived. Nonlinearity and dispersion are the reasons forexcitation of the entropy mode. The nonlinear interaction of modes as a reason for bubble to grow due to sound, is discovered.Some numerical examples of the modes interactions are made.
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TEM data of (Cr,Fe,Mn,Co,Ni)3O4 High-entropy spinel oxide thin films deposited on amorphous SiO2 substrate by spray pyrolysis techniqe
Open Research DataThis Dataset include presentation of summarized TEM investigation of (Mn,Co,Fe,Ni,Cr)3O4 high-entropy spinel oxide prepared in the form of a ~ 500 nm thin film utilising a facile spray pyrolysis technique. The structural and electrical properties of the layers were characterised after exposure to temperatures in the range of 400–900 ◦C. The as-deposited...
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Polycyclic aromatic hydrocarbons as test probes to investigate the retention behavior of 1,3-alternate calix[4]arene silica-bonded stationary phases
PublicationA series of polycyclic aromatic hydrocarbons (PAHs) of different size and shape has been used to characterize the chromatographic behavior of five calix[4]arene stationary phases in 1,3-alternate conformation synthesized in our laboratory. The selection of linear, fourring nonlinear, and five-ring PAHs gave data on selectivity changes across range of the calix[4]arene columns. Retention of the 12 aromatic solutes has been evaluated...
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Dynamic stability and spatial heterogeneity in the indyvidual-based modelling of a Lotka-Volterra gas.
PublicationPrzedstawiono wyniki symulacji systemu drapieżnik-ofiara. Dynamika populacji jest opisana oddziaływaniami typu Lotki Volterry ala uzyskane efekty przestrzenne różnia się od rozwiązań równań Lotki Voltery. Do analizy wyników symulacji uzyto miary entropii i korelacji. Entropia oscyluje w rytmie zgodnym z całą populacją, zaś średnie wartości korelacji skrosnej są zależne od rozmiarów okna obserwacji.
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SEM/EDX data of (Cr,Fe,Mn,Co,Ni)3O4 High-entropy spinel oxide thin films deposited on amorphous SiO2 substrate by spray pyrolysis techniqe
Open Research DataThis Data set include SEM and EDX results of (Mn,Co,Fe,Ni,Cr)3O4 high-entropy spinel oxide prepared in the form of a ~ 500 nm thin film utilising a facile spray pyrolysis technique. The structural and electrical properties of the layers were characterised after exposure to temperatures in the range of 400–900 ◦C. The as-deposited layers were amorphous,...
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Europa Orientalis. Studia z Dziejów Europy Wschodniej i Państw Bałtyckich
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Direct measurement of nonlinear properties of bipartite quantum states
PublicationNieliniowe własności stanów kwantowych, takie jak entropia, splątania, określają ilość ważnych fizycznych źródeł i są często używane w informatyce kwantowej. Na ogół są one obliczane z pełnego opisu stanu kwantowego, pomimo tego, że zależą od niewielkiej ilości parametrów opisujących dany stan. Wyciągamy nielokalną i nieliniową wielkość, mianowicie entropię Renyi, z lokalnych pomiarów dwóch par fotonów splątanych polaryzacyjnie.
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Molecular dynamics simulations reveal the balance of forces governing the formation of a guanine tetrad—a common structural unit of G-quadruplex DNA
PublicationG-quadruplexes (G4) are nucleic acid conformations of guanine-rich sequences, in which guanines are arranged in the square-planar G-tetrads, stacked on one another. G4 motifs form in vivo and are implicated in regulation of such processes as gene expression and chromosome maintenance. The structure and stability of various G4 topologies were determined experimentally; however, the driving forces for their formation are not fully...
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Total electrical conductivity data of (Cr,Fe,Mn,Co,Ni)3O4 High-entropy spinel oxide thin films deposited on amorphous SiO2 substrate by spray pyrolysis techniqe
Open Research DataThis dataset includes electrical conductivity measurements results measured by van der pauw technique up to 900oC.
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Human Gb3/CD77 synthase produces P1 glycotope-capped N-glycans, which mediate Shiga toxin 1 but not Shiga toxin 2 cell entry
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PTD4 Peptide Increases Neural Viability in an In Vitro Model of Acute Ischemic Stroke
PublicationIschemic stroke is a disturbance in cerebral blood flow caused by brain tissue ischemia and hypoxia. We optimized a multifactorial in vitro model of acute ischemic stroke using rat primary neural cultures. This model was exploited to investigate the pro-viable activity of cell-penetrating peptides: arginine-rich Tat(49–57)-NH2 (R49KKRRQRRR57-amide) and its less basic analogue, PTD4 (Y47ARAAARQARA57-amide). Our model included glucose...
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Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics
PublicationCRISPR-Cas9 is a cutting-edge genome editing technology, which uses the endonuclease Cas9 to introduce mutations at desired sites of the genome. This revolutionary tool is promising to treat a myriad of human genetic diseases. Nevertheless, the molecular basis of DNA cleavage, which is a fundamental step for genome editing, has not been established. Here, quantum–classical molecular dynamics (MD) and free energy methods are used...
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Online stores' credibility: the moderating role of customers' gender and self-efficacy
PublicationThe evaluation of online stores’ credibility by customers in regard of gender and self-efficacy is presented. Two groups of attributes, usability and informational content, were characteristics of credibility. The survey involved students as representatives of the largest group of the Internet users. As shown by the results obtained, the informational content of online stores (such as recommendations) and its professionalism was...
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Thermodynamics of aggregation of 1-methyl-3-tetradecylimidazolium chloride in an aqueous solution
PublicationZbadano zależność agregacji chlorku 1-metylo-3-tetradecyloimidazoliowego w środowisku wodnym od temperatury. Wyznaczono krytyczne stężenie agregacji (CAC) oraz stopień jonizacji metodą pomiaru przewodnictwa właściwego. Otrzymane wyniki wykorzystano do predykcji parametrów termodynamicznych - entalpii swobodnej, entalpii i entropii, stosując phase separation model. Wykazano, że krzywa zależności CAC od temperatury jest U-kształtna...
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Centropa: a journal of architecture and related arts
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Analiza celowości wprowadzenia do powszechnego stosowania w sieci dystrybucyjnej kabli SN o żyłach powrotnych o przekrojach powszechnie stosowanych w innych spółkach dystrybucyjnych krajów Europy Zachodniej
PublicationW opracowaniu dokonano analizy możliwości zastosowania mniejszych przekrojów żył powrotnych w liniach kablowych średnich napięć kierując się zasadą nie przekraczania temperatury dopuszczalnej 350oC w czasie stanów zwarciowych w sieci.
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Shear-Jamming in Two-Dimensional Granular Materials with Power-Law Grain-Size Distribution
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Effect of osmolytes on the thermal stability of proteins: replica exchange simulations of Trp-cage in urea and betaine solutions
PublicationAlthough osmolytes are known to modulate the folding equilibrium, the molecular mechanism of their effect on thermal denaturation of proteins is still poorly understood. Here, we simulated the thermal denaturation of a small model protein (Trp-cage) in the presence of denaturing (urea) and stabilizing (betaine) osmolytes, using the all-atom replica exchange molecular dynamics simulations. We found that urea destabilizes Trp-cage...
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Effect of pH on optical sensing with poly-L-lysine-modified nanodiamonds
PublicationNitrogen-vacancy (NV) centers are crystallographic defects which provide diamonds with unique physical properties. The centers are known for their intensive, time-stable fluorescence, and an electron spin, which exhibits long coherence time and may be manipulated using external stimuli. Nanodiamonds containing the NV centers are promising tools in biolabeling, biosensing, and drug delivery due to the aforementioned properties of...
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XRD data of (Cr,Fe,Mn,Co,Ni)3O4 High-entropy spinel oxide thin films deposited on amorphous SiO2 substrate by spray pyrolysis techniqe, annealed in a range from 400 to 900oC
Open Research DataDataset include collected XRD data of (Cr,Fe,Mn,Co,Ni)3O4 high-entropy spinel oxide thin films deposited by spray pyrolysis technique on amorphous SiO2 substrates and annealed from 400 to 900oC. Samples were prepared in the form of a ~ 500 nm thin film utilising a facile spray pyrolysis technique. The structural and electrical properties of the layers...
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Yearbook of the Institute of East-Central Europe
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Jaroslaw Spychala dr
PeopleOprócz bardzo dobrego wykształcenia osoba posiada również wieloletnie doświadczenie zawodowe, które jest poświadczeniem tego, że potrafi wykorzystać swoją wiedzę teoretyczną w praktycznych działaniach. Doświadczenie zawodowe jest bardzo bogate i rozbudowane. Ze względu na nabyte całkiem nowe umiejętności zwiększa się atrakcyjność doświadczonego pracownika. Są to między innymi kreatywne myślenie, zorientowanie na cel, odporność...
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Katarzyna Kubiszewska dr
PeopleKatarzyna Kubiszewska has taught finance and banking at the Department of Finance since 2008. In his scientific work, he is interested in the transformation of banking systems in the Central and Eastern European region, but also in the financing of the cultural sector. The publications concern the field of social sciences in the discipline of economics and finance. Since 2019, he has been collaborating with journals such as Economic...
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Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
PublicationAbstract A series of diaminium thiosulfates, derivatives of diamines: NH2CH2CH(CH3)NH2 (1) and NH2(CH2)nNH2, n = 3-6 (2-5 respectively)and thiosulfuric acid were prepared and their structures determined by crystal X-ray diffraction analysis. Compounds 1, 2 and 4 turned out to be hydrates. The crystal structure of 1,2-proylenediaminium thiosulfate is chiral and exhibits spontaneous resolution. Crystals for both enantiomers...
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Thermodynamic interpretation and prediction of CO2 solubility in imidazolium ionic liquids based on regular solution theory
PublicationRegular solution theory (RST) is the most popular model for the interpretation of the interaction between CO2 and ionic liquids. In the present work, the parameters of this model were determined for the CO2 absorption in eleven imidazolium ionic liquids. The y-intercept (A) of the RST model for the investigated imidazolium liquids increases with increasing temperature whereas the slope (B) remains constant. The values of RST parameters...
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Video traffic data - Interchanges Podwarpie (S1-86) - Entry + exit lanes, Poland
Open Research DataThe data includes video traffic data registered with 4 video cameras on entry or exit lanes of the Podwarpie interchange within S1 expressway in Poland (interchange of expressway S1 and national road 86), located in the Silesian Agglomeration). The data covers the one day: 23.05.2017 (expressway S1).
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Video traffic data - Interchanges Bielany (A4-5) - exit+entry lanes, Poland
Open Research DataThe data includes video traffic data registered with 12 video cameras at entry or exit lanes of the Bielany interchange within A4 motorway in Poland (interchange of motorway A4 and nacional road 5), located in the Wroclaw Agglomeration.The data covers the two days: 06.06.2017 and 08.06.2017 (motorway A4).
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Video traffic data - Interchange Lotnisko (S2-S79) - Exit +entry lanes, Poland
Open Research DataThe data includes video traffic data registered with 8 video cameras at entry or exit lanes of the Lotnisko interchange within S2 expressway in Poland (interchange of expressway S2 and expressway S79), located in the Warsaw Agglomeration. The data covers the one day: 05.09.2017 (expressway S2).
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Video traffic data - Interchange Lotnisko (S6-472) - Exit +entry lanes, Poland
Open Research DataThe data includes video traffic data registered with 6 video cameras at entry or exit lanes of the Lotnisko interchange within S6 expressway in Poland (interchange of expressway S6 and regional road 472), located in the Tri-City Agglomeration. The data covers the two days: 10.04.20187 and 12.04.2017(expressway S6).
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Dynamic Bayesian Networks for Symbolic Polyphonic Pitch Modeling
PublicationSymbolic pitch modeling is a way of incorporating knowledge about relations between pitches into the process of an- alyzing musical information or signals. In this paper, we propose a family of probabilistic symbolic polyphonic pitch models, which account for both the “horizontal” and the “vertical” pitch struc- ture. These models are formulated as linear or log-linear interpo- lations of up to fi ve sub-models, each of which is...
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A coarse‐grained approach to NMR ‐data‐assisted modeling of protein structures
PublicationThe ESCASA algorithm for analytical estimation of proton positions from coarse-grained geometry developed in our recent work has been implemented in modeling protein structures with the highly coarse-grained UNRES model of polypeptide chains (two sites per residue) and nuclear magnetic resonance (NMR) data. A penalty function with the shape of intersecting gorges was applied to treat ambiguous distance restraints, which automatically...
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Dynamics of quantum entanglement
PublicationA model of discrete dynamics of entanglement of a bipartite quantum state is considered. It involves a global unitary dynamics of the system and periodic actions of local bistochastic or decaying channel. For initially pure states the decay of entanglement is accompanied by an increase of von Neumann entropy of the system. We observe and discuss revivals of entanglement due to unitary interaction of subsystems. For some mixed states...
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Michał Wasilczuk prof. dr hab. inż.
PeopleMichał Wasilczuk received his M.Sc. (1986), Ph.D. (1994) and D.Sc. (2004) from the Gdansk University of Technology. In 2016 was nominated Professor Currently he is a Full Professor and Head of the Department of Machine Design and Automotive Engineering at the Faculty of Mechanical Engineers at GUT Bearing systems and tribology are the main fields of his scientific and engineering interest - starting from the Ph.D. devoted to...
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Enzymatic cross-linking of β-lactoglobulin in solution and at air–water interface: Structural constraints
PublicationEffective and controlled use of cross-linking enzymes in structure engineering of food systems depends on characterization of the favorable conditions for enzyme-substrate complex and the limiting factors for the desired modification. In this respect, we analyzed the susceptibility of bovine β-lactoglobulin (BLG) to enzymatic cross-linking by Trichoderma reesei tyrosinase (TrTyr) and transglutaminase (TG). Changes in BLG molecular...
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Instytut Europy Środkowej
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Nonlinear resultant theory of shells accounting for thermodiffusion
PublicationThe complete nonlinear resultant 2D model of shell thermodiffusion is developed. All 2D balance laws and the entropy imbalance are formulated by direct through-the-thickness integration of respective 3D laws of continuum thermodiffusion. This leads to a more rich thermodynamic structure of our 2D model with several additional 2D fields not present in the 3D parent model. Constitutive equations of elastic thermodiffusive shells...
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Impact of Boundary Conditions on Acoustic Excitation of EntropyPerturbations in a Bounded Volume of Newtonian Gas
PublicationExcitation of the entropy mode in the field of intense sound, that is, acoustic heating, is theoreticallyconsidered in this work. The dynamic equation for an excess density which specifies the entropy mode,has been obtained by means of the method of projections. It takes the form of the diffusion equation withan acoustic driving force which is quadratically nonlinear in the leading order. The diffusion coefficient isproportional...
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Standing Waves in One-Dimensional Resonator Contaning an Ideal Isothermal Gas Affected by the Constant Mass Force
PublicationThe study is devoted to standing acoustic waves in one-dimensional planar resonator which containing an ideal gas. A gas is affected by the constant mass force. Two types of physically justified boundary conditions are considered: zero velocity or zero excess pressure at both boundaries. The variety of nodal and antinodal points is determined. The conclusion is that the nodes of pressure and antinodes of velocity do not longer...
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Book Chapter in the Prime Archives in Chemistry: 2nd Edition (dissemination of knowledge)
PublicationTo cite a chapter in a book include: Jaroslaw Spychala. The CON−H….+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway. In: VSR Rajasekhar Pullabhotla, editor. Prime Archives in Chemistry: 2nd Edition. Hyderabad, India: Vide Leaf. 2022. https://doi.org/10.1155/2022/1707245
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The synthesis and structure of a potential immunosuppressant: N-mycophenoyl malonic acid dimethyl ester
PublicationThe synthesis of a potential immunosuppressant, i.e. dimethyl ester of N-mycophenoyl malonic acid was optimized in the reaction of mycophenolic acid (MPA) with amino malonic dimethyl ester in the presence of propanephosphonic anhydride (T3P) as a coupling reagent. The structural properties of the obtained MPA derivative were investigated by NMR, MS and single crystal X-ray diffraction methods. Theoretical considerations of conformational...
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Anion recognition by phosphonium calix[4]arens: synthesis and physico-chemical studies
Publicationp-tert-butylcalix[4]arenes in the cone conformation, di-and tetra substituted at the narrow rim with charged phosphonium groups have been synthesies and characterised.
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Detecting coupling directions with transcript mutual information: A comparative study
PublicationCausal relationships are important to understand the dynamics of coupled processes and, moreover, to influence or control the effects by acting on the causes. Among the different approaches to determine cause-effect relationships and, in particular, coupling directions in interacting random or deterministic processes, we focus in this paper on information-theoretic measures. So, we study in the theoretical part the difference between...
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Dispiro[cyclopropane-1,50-endo-tricyclo-[5.2.1.02,6]deca-3,8-diene-100,100-cyclopropane]
PublicationThe title compound, C14H16, is built up from three fivememberedrings. Two of the five-membered rings display anenvelope conformation and the third one is almost planar(r.m.s. deviation = 0.014 A ° ).
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Analiza i ocena poprawności działania węzła tarcia w aspekcie II zasady termodynamiki
PublicationW artykule przedstawiono autorską metodę sprawdzania poprawności działania węzła tarcia traktowanego jako układ tribologiczny w aspekcie II zasady termo-dynamiki na podstawie analizy i oceny wyników badań laboratoryjnych wykonanych na stanowisku badawczym. Jako stanowisko wykorzystany został zmodyfikowany węzeł tarcia aparatu czterokulowego T-02. Zaprezentowano algorytm, według którego zostały wykonane badania empiryczne. Wykazano,...