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Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin
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On the Possibility of the Amphotericin B-Sterol Complex Formation in Cholesterol- and Ergosterol-Containing Lipid Bilayers: A Molecular Dynamics Study
PublikacjaAmphotericin B (AmB) is a well-known membrane-active antibiotic that has been used to treat systemicfungal infections for more than 45 years. Therapeutic application of AmB is based on the fact that it is moreactive against ergosterol-containing membranes of fungal cells than against mammalian membranes withcholesterol. In this paper, we examine the hypothesis according to which the selectivity of the AmB's membraneaction originates...
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Synthesis, crystal structure and cytotoxic activity of ruthenium(II) piano-stool complex with N,N-chelating ligand
PublikacjaA mononuclear compound of the general formula [(η6-p-cymene)RuIICl(2,2′-PyBIm)]PF6 has been synthesized from a bidentate N,N-donor ligand, viz. 2,-(2′-pyridyl)benzimidazole (2,2′-PyBIm) and the corresponding chloro-complex [(η6-p-cymene)Ru(μ-Cl)Cl]2 (precursor). The isolated coordination compound was characterized by IR, UV–vis and 1H, 13C NMR spectroscopies. The single crystal X-ray analysis of the complex reveals that the asymmetric...
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Analysis of Reconstituted Tripartite Complex Supports Avidity-based Recruitment of Hsp70 by Substrate Bound J-domain Protein
PublikacjaHsp70 are ubiquitous, versatile molecular chaperones that cyclically interact with substrate protein(s). The initial step requires synergistic interaction of a substrate and a J-domain protein (JDP) cochaperone, via its J-domain, with Hsp70 to stimulate hydrolysis of its bound ATP. This hydrolysis drives conformational changes in Hsp70 that stabilize substrate binding. However, because of the transient nature of substrate and JDP...
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Iron complexes with terminal and nonbridging phosphanido ligands
PublikacjaThis review discusses known iron complexes with terminal-bonded and nonbridging phosphanido ligands R2Pand their analogs, such as phosphanylphosphanido, borylphosphanido and oligophosphanido groups, that have been reported since 1960s. Particular attention is focused on the synthesis and structural features of these complexes, which have a direct impact on their philicity and further reactivity. Moreover, their application in catalysis...
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Numerical integration of a coupled Korteweg-deVries system
PublikacjaMetoda numeryczna została wprowadzona do rozwiązania ogólnych układów równańKorteweg´a- de Vries´a. Zastosowana do równania Hirota-Satsuma.
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Near Field Coupled Wireless Microwave Sensor
PublikacjaThis paper presents a wireless planar microwave sensor operating at industrial scientific and medical (ISM) frequency for the detection of dielectric materials. The microwave sensor consists of a reader (ground defected microstrip coupled line) and a passive tag where a complementary split-ring resonator (CSRR) is made on the commercially available copper-foil. The CSRR is a peel-off type tag that is excited using the near field...
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A 3-dB coupler with UC-PBG structure
PublikacjaPrzedstawiono nową konstrukcję sprzęgacza z liniami paskowymi sprzężonymi szerokim bokiem oraz zmodyfikowaną warstwą metalizacji masy. Modyfikacja metalizacji polega na periodycznym wytrawieniu dwuwymiarowej struktury szczelin, nazywanej strukturą uniplanarnej zwartej przerwy fotonicznej (UC-PBG: Uniplanar Compact Photonic BandGap). Potwierdzono przewidywane wcześniej zjawisko spowolnienia fali oraz powiększenia wielkości sprzężenia...
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Isolator using a ferrite-coupled-lines gyrator
PublikacjaPrzedstawiono koncepcję nowego typu gyratora wykonywanego poprzez zwarcie lub rozwarcie ferrytowych linii sprzężonych (FCL). Redukując w taki sposób macierz rozproszenia (S) sekcji FCL określono macierz S gyratora oraz procedurę jego projektowania. Poprzez odpowiednie wprowadzenie warstwy rezystywnej do układu gyratora zaprojektowano nowy układ isolatora typu FCL oraz podano metodykę jego projektowania. Koncepcje proponowanych...
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Multi-headed chimera states in coupled pendula
PublikacjaWe discuss the occurrence of the chimera states in the network of coupled, excited by the clock’s mechanisms pendula. We find the patterns of multi-headed chimera states in which pendula clustered in different heads behave differently (oscillate with different frequencies) and create different types of synchronous states (complete or phase synchronization). The mathematical model of the network shows that the observed chimera states...
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Photophysics of Untethered ZnTPP-Fullerene Complexes in Solution
PublikacjaThe spectroscopy and dynamic behavior of the self-assembled, Soret-excited zinc tetraphenylporphyrin (ZnTPP) plus fullerene (C60) model system in solution has been examined using steady state fluorescence quenching, nanosecond time-correlated single photon counting, picosecond fluorescence upconversion, and picosecond transient absorption methods. Evidence of ground state complexation is presented. Steady-state quenching of the...
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Formation of carboxymethyl cellulose–casein complexes by electrosynthesis
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Apple pectin complexes with whey protein isolate
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Physics of Strongly-coupled Dopant-atoms in Nanodevices
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Molecular Modeling of the Neurohypophyseal Receptor/Atosiban Complexes
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Polysaccharide–Protein Complexes in a Coarse-Grained Model
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On the Matano Plane Position in Multicomponent Diffusion Couples
PublikacjaEven though several methods of diffusion analysis avoid a necessity for the Matano plane determination, the Matano plane locations are of interest in the multicomponent couples and when tracer experiments are performed. The positions of the Matano plane calculated from the concentration profiles should be exactly the same. However, due to experimental errors, the results can differ significantly. In the paper we consider Matano...
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On the Matano Plane Position in Multicomponent Diffusion Couples
PublikacjaEven though several methods of diffusion analysis avoid a necessity for the Matano plane determination, the Matano plane locations are of interest in the multicomponent couples and when tracer experiments are performed. The positions of the Matano plane calculated from the concentration profiles should be exactly the same. However, due to experimental errors, the results can differ significantly. In the paper we consider Matano...
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Python based high-level synthesis compiler
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Investigations of broadband multilayered coupled line couplers
PublikacjaW pracy przedstawiono dwa układy szerokopasmowych sprzęgaczy 3dB. Pierwszy układ zrealizowany jest w oparciu o linie paskowe z rowkowanym ekranem. Drugi układ to zmodyfikowany układ sprzęgacza mikrofalowego zrealizowanego w oparciu o linie mikropaskowe ze wspólną masą. Zaproponowane układy sprzęgaczy odznaczają się szerszym pasmem pracy w porównaniu do układów prezentowanych w literaturze. Wyniki symulacji układów zostały zweryfikowane...
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A computer system for the complete design of ship propellers
PublikacjaPraca zawiera opis metody obliczeniowej pozwalającej na zaprojektowanie okrętowej śruby napędowej dla również obliczeniowo wyznaczonego niejednorodnego pola prędkości za kadłubem statku o znanej geometrii i parametrach ruchu. Metoda pozwala na właściwe ujęcie efektu skali i konsekwencji obecności płetwy sterowej za projektowaną śrubą.
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Rearrangeability in multicast Clos networks is NP-complete
PublikacjaPrzestrajalność w polach Closa z połączeniami jeden do jeden jest problemem wielomianowym. W pracy pokazano, że w polach z połączeniami jeden do wiele problem ten jest NP zupełny.Three-stage elos networks are commutation networks with circuit switching. So far, graph theory has been very useful tool for solving issues related to these networks with unicast connections. This is so because if elos network is represented as a bipartite...
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The unrestricted global effort to complete the COOL trial
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Doubly miniaturized rat-race hybrid coupler
PublikacjaTwo complementary miniaturization techniques have beenapplied to reduce the size of a rat-race hybrid coupler: (i) conventional microstrip sections have been replaced with their diminished lowimpedance counterparts as the first step of size reduction and (ii) novel fractal-shaped compact microstrip resonant cells dedicated to efficiently shorten low-impedance transmission line segments have been implemented as the second step of...
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Multi-pulse VSC arrangements with coupled reactors
PublikacjaThis paper presents a novel approach to the multipulse VSC (Voltage Source Converter) arrangements based on several conventional inverter modules connected in parallel by using coupled reactors. This solution reduces the THD of the output voltage, despite the low switching frequency of transistors. The advantage of the proposed solution is also a relatively small rated power of the reactors. Proposed new arrangements for different...
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Coupled inductors based filter for matrix converters
PublikacjaThe use of the coupled inductors in the multipulse matrix converter (MC) systems is described in the paper. The possible arrangements of the system are given together with the description of their operation parameters. Moreover, the influence of the system’s topology on the output power quality is also presented. The invented converter structures evaluation results are given in the form of simulation tests acquired output waveforms...
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Boron Difluoride Complexes of Carbamoyl Meldrum's Acids
Publikacja5-[Hydroxy(aryl/alkylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-diones react with BF3•Et2O in mild conditions leading to the formation of boron difluoride complexes of carbamoyl Meldrum's acids. The X-ray structure has been obtained for one representative complex. The obtained new compounds are fairly stable at standard ambient conditions and easily isolable.
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Access to Side-On Bonded Tungsten Phosphanylphosphinidene Complexes
PublikacjaMetathesis reactions between diimido complexes of tungsten(VI)[(ArN)2WCl2] (Ar = 2,6-iPr2C6H3) and lithium derivatives of diphosphanes R2P-P(SiMe3)Li (R = tBu and iPr) yield two anionic diimido complexes of tungsten with side-on bonded phosphanylphosphinidene ligands, [(ArN)2WCl(η2-R2P-P)]-. Both complexes are structurally characterized. A possible reaction mechanism and the role of donor solvents are discussed on the basis of...
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A complete example of experience konowledge structure on XML
PublikacjaPrzedstawiono kompletny przykład reprezentacji struktury wiedzy w języku XML. Omówiono cztery podstawowe składniki tej reprezentacji: dane, funkcje, ograniczenia i zasady.
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A coupled continuous-discontinuous approach to concrete elements.
PublikacjaArtykuł omawia zastosowanie metody elementów skończonych do opisu procesu pękania elementów betonowych z równoczesnym uwzględnieniem lokalizacji odkształceń i rys. Obliczenia wykonano dla elementów poddanych zginaniu. Wyniki porównano z doświadczeniami.
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Tailoring properties of indium tin oxide thin films for their work in both electrochemical and optical label-free sensing systems
PublikacjaThis work is devoted to the identification properties of indium tin oxide (ITO) thin films responsible for their possible application in combined optical and electrochemical label-free sensing systems offering enhanced functionalities. Since any post-processing would make it difficult to identify direct relation between deposition parameters and properties of the ITO films, especially when deposition on temperature-sensitive substrates...
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Sporadic amyotrophic lateral sclerosis: is SMN-Gemins protein complex of importance for the relative resistance of oculomotor nucleus motoneurons to degeneration?
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Solvent Impact on the Diversity of Products in the Reaction of Lithium Diphenylphosphide and a Ti(III) Complex Supported by a tBu2P–P(SiMe3) Ligand
PublikacjaWe present two important trends in the reactivity ofthe titanium complex [MeNacNacTi(Cl){η2-P(SiMe3)-PtBu2}](MeNacNac− = [Ar]NC(Me)CHC(Me)N[Ar]; Ar = 2,6-iPr2Ph)with nucleophilic reagents RLi (R = Ph2P,tBuO, (Me3Si)2N, andtBu2N) depending on the reaction medium. Reaction in nonpolarsolvent (toluene) leads to three main products: via an autoredoxprocess and nucleophilic substitution at the Ti-atom to afford theTi(IV) complex [MeNacNacTi(R){η2-P-PtBu2}]...
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Heteroleptic cadmium(II) complex, potential precursor for semiconducting CdS layers. Thermal stability and non-isothermal decomposition kinetics
PublikacjaW ramach pracy zweryfikowano stabilność termiczną [Cd{SSi(OBut)3}(S2CNEt2)]2 - potencjalnego prekursora do otrzymywania warstw półprzewodnikowych CdS. Równocześnie przeprowadzono analizę kinetyki rozkładu za pomocą różnych metod izokonwersyjnych zaproponowanych przez Flynn-Wall-Ozawa, Kissinger-Akahira-Sunose i Friedmanna w wyniku czego wyznaczono całkowity tryplet kinetyczny dla omawianego kompleksu.
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Evaluation of Nanoporous Carbon Synthesized from Direct Carbonization of a Metal–Organic Complex as a Highly Effective Dye Adsorbent and Supercapacitor
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Unraveling the origin of the complex structure of the thorium Lγ x-ray lines in high-resolution spectra induced by heavy projectiles
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Thermal behavior of the highly luminescent poly(3-hydroxybutyrate):Eu(tta)3(H2O)2 red-emissive complex
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Tuning a Hybrid GPU-CPU V-Cycle Multilevel Preconditioner for Solving Large Real and Complex Systems of FEM Equations
PublikacjaThis letter presents techniques for tuning an accelerated preconditioned conjugate gradient solver with a multilevel preconditioner. The solver is optimized for a fast solution of sparse systems of equations arising in computational electromagnetics in a finite element method using higher-order elements. The goal of the tuning is to increase the throughput while at the same time reducing the memory requirements in order to allow...
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A GPU Solver for Sparse Generalized Eigenvalue Problems with Symmetric Complex-Valued Matrices Obtained Using Higher-Order FEM
PublikacjaThe paper discusses a fast implementation of the stabilized locally optimal block preconditioned conjugate gradient (sLOBPCG) method, using a hierarchical multilevel preconditioner to solve nonHermitian sparse generalized eigenvalue problems with large symmetric complex-valued matrices obtained using the higher-order finite-element method (FEM), applied to the analysis of a microwave resonator. The resonant frequencies of the low-order...
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A Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for the oxidation of 1-phenylethanol and unusual magnetic properties
PublikacjaMononuclear and polymeric complexes of zinc(II) and copper(II) have been synthesized using two isomers of the hemi-salen ligand with a different mutual orientation of donor atoms. The heterometallic Cu/Zn metallocycle features a catalytic niche filled with the molecule of water and molecules of methanol. This unusual compound exhibits both pronounced catalytic activity in the reaction of oxidation of a secondary alcohol to ketone...
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Fault detection and diagnostics of complex dynamic systems using Gaussian Process Models - nuclear power plant case study
PublikacjaThe article examines the use of Gaussian Process Models to simulate the dynamic processes of a Pressurized Water nuclear Reactor for fault detection and diagnostics. The paper illustrates the potential of Gaussian Process Models as a tool for monitoring and predicting various fault conditions in Pressurized Water nuclear Reactor power plants, including reactor coolant flow and temperature variations, deviations from nominal working...
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Ipertrofan Revisited—The Proposal of the Complete Stereochemistry of Mepartricin A and B
PublikacjaBeing a methyl ester of partricin, the mepartricin complex is the active substance of a drug called Ipertrofan (Tricandil), which was proven to be useful in treatment of benign prostatic hyperplasia and chronic nonbacterial prostatitis/chronic pelvic pain syndrome. Nevertheless, no direct structural evidence on the stereochemistry of its components has been presented to date. In this contribution, we have conducted detailed, NMR-driven...
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Scheduling with Complete Multipartite Incompatibility Graph on Parallel Machines
PublikacjaIn this paper we consider a problem of job scheduling on parallel machines with a presence of incompatibilities between jobs. The incompatibility relation can be modeled as a complete multipartite graph in which each edge denotes a pair of jobs that cannot be scheduled on the same machine. Our research stems from the works of Bodlaender, Jansen, and Woeginger (1994) and Bodlaender and Jansen (1993). In particular, we pursue the...
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Analytical and numerical solution of a coupled KdV - MKdV system.
PublikacjaTransformację Darboux zastosowano do całkowania układów równań KdV - MKdV.Reprezentacja Laxa używa 2x2 macierzowe zagadnienie spektralne drugiego rzędu. Numeryczną metodę wprowadzono razem z dowodem zbieżności.
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Ramsey numbers for triangles versus almost-complete graphs.
PublikacjaPokazano, że w każdym krawędziowym pokolorowaniu dwoma kolorami grafu pełnego o 38 wierzchołkach występuje trójkąt w pierwszym kolorze lub podgraf izomorficzny z K_10 - e w drugim kolorze. Stąd otrzymujemy górne oszacowanie R(K_3, K_10 - e) <= 38. Przedstawiamy także pokolorowanie krawędziowe grafu K_36, którego istnienie dowodzi, że R(K_3, K_10 - e) >= 37.
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Analytical and numerical solution of a coupled KdV-MKdV system.
PublikacjaTransformacje Darboux zostały użyte do rozwiązania układu równań KdV-MKdV.
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Complexes of silanethiolate ligands: Synthesis, structure, properties and application
PublikacjaThe purposeful syntheses of silanethiolate complexes started approximately in the mid-eighties of the 20th century but no summary of the synthetic efforts has been reported till now. The synthetic methods and the resulting complexes have some common features, which are emphasized throughout the review. Thereby specific difficulties during synthesis are outlined and the structures, properties and possible applications of the resulting...
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Nonreciprocity of a ferrite coupled microstrip-slot lines junction
PublikacjaW oparciu o wyniki modelowania numerycznego zbadano efekty niewzajemne występujące w strukturze sekcji sprzężonych poprzez warstwę ferrytu linii mikropaskowej i szczelinowej. Wykazano występowanie zjawiska periodycznej transformacji energii rodzaju mikropaskowego w rodzaj szczelinowy i odwrotnie.
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Tight bounds on global edge and complete alliances in trees
PublikacjaIn the talk the authors present some tight upper bounds on global edge alliance number and global complete alliance number of trees. Moreover, we present our NP-completeness results from [8] for global edge alliances and global complete alliances on subcubic bipartite graphs without pendant vertices. We discuss also polynomial time exact algorithms for finding the minimum global edge alliance on trees [7] and complete alliance...
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Quadratic programming approach to coupled resonator filter cad
PublikacjaArtykuł prezentuje technikę komputerowego wspomagania procesu projektowania filtrów zbliżeniowych. Polega ona na sformułowaniu macierzy sprzężeń jako problemu programowania kwadratowego (QP). Dzięki zdefiniowaniu procedury optymalizacyjnej jako problemu QP, przy założeniu liniowej zależności współczynników sprzężeń od wymiarów geometrycznych struktury, uzyskano znaczącą redukcję liczby pełnofalowych symulacji prowadzących do uzyskania...