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Search results for: supramolecular junction
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Study of the transport properties of a molecular junction as a function of the distance between the leads
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Supramolecular deep eutectic solvents and their applications
PublicationIn recent years, the growing awareness of the harmfulness of chemicals to the environment has resulted in the development of green and sustainable technologies. The compromise between economy and environmental requirements is based on the development of new efficient and green solutions. Supramolecular deep eutectic solvents (SUPRADESs), a new deep eutectic solvent (DES) subclass characterized by inclusion properties, are a fresh...
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Supramolecular Interactions between β-Cyclodextrin and the Nucleobase Derivatives of Ferrocene
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Interplay of hydrogen bonding and aryl-perfluoroaryl interactions in construction of supramolecular aggregates
PublicationThe stacking between aryl and perfluoroaryl units is an important class of the aromatic – aromatic interactions that has attracted rapidly growing interest in recent years. Continuing interest of our group in this subject it had been prepared three new complexes of pentafluorobenzoic acid with benzyl alcohol, 4-methylbenzyl alcohol and 4-tert-butylbenzyl alcohol and in the next step investigated their self-assembly modes by...
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Spectroscopic insight into supramolecular assemblies of boric acid derivatives and β-cyclodextrin
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The supramolecular organization of self-assembling chlorosomal bacteriochlorophyll c, d, or e mimics
PublicationBacteriochlorophylls (BChls) c, d, and e are the main light-harvesting pigments of green photosynthetic bacteria that self-assemble into nanostructures within the chlorosomes forming the most efficient antennas of photosynthetic organisms. All previous models of the chlorosomal antennae, which are quite controversially discussed because no single crystals could be grown so far from these organelles, involve a strong hydrogen-bonding...
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Ultrafast Intramolecular Relaxation and Wave-Packet Motion in a Ruthenium-Based Supramolecular Photocatalyst
PublicationThe hydrogen-evolving photocatalyst [(tbbpy)2 Ru(tpphz)Pd(Cl)2 ](2+) (tbbpy=4,4'-di-tert-butyl-2,2'-bipyridine, tpphz=tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine) shows excitation-wavelength-dependent catalytic activity, which has been correlated to the localization of the initial excitation within the coordination sphere. In this contribution the excitation-wavelength dependence of the early excited-state relaxation...
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Preparation and Characterization of Indomethacin Supramolecular Systems with β-Cyclodextrin in Order to Estimate Photostability Improvement
PublicationCyclodextrins have found wide application in contemporary chemistry, pharmacy andmedicine. Because of their unique properties, cyclodextrins are constantly used in research on solubility or stability improvement, as well as other physicochemical properties of medicinal substances. Indomethacin (IND) is a photolabile molecule that also attracts the interest of researchers due to its therapeutic potential and the need to...
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Novel non-covalent stable supramolecular ternary system comprising of cyclodextrin and branched polyethylenimine
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Supramolecular Synthesis Based on a Combination of Se···N Secondary Bonding Interactions with Hydrogen and Halogen Bonds
PublicationExamination of the solid state structures of 2,1,3-benzoselenadiazole complexes with hydrogen or halogen bond donors has demonstrated that the 2,1,3-benzoselenadiazole molecules preferably form centrosymmetric dimers with use of [Se–N]2 supramolecular synthon, whereas the two remaining nitrogen atoms not involved in the [Se–N]2 supramolecular interactions can act as acceptors of hydrogen or halogen bonds. Cocrystallization of selenadiazoles...
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Circular Dichroism Imaging: Mapping the Local Supramolecular Order in Thin Films of Chiral Functional Polymers
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Supramolecular Assemblies of Hydrogen Bonded Carboxylic Acid Dimers Mediated by Phenyl-Pentafluorophenyl Stacking Interactions.
PublicationKwas pentafluorobenzoesowy tworzy heterodimery z kwasami benzoesowym i 2,4,6-trimetylobenzoesowym w wyniku oddziaływań typu pi-pi reszt fenylowych i pentafluorofenylowych. Otrzymane kokryształy wymienionych kwasów z 1,4-bisarylobutadiynami zawierały homodimery tworzone przez cząsteczki kwasów, pomiędzy którymi znajdowały się cząsteczki diarylodiacetylenów.
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A concerted evolution of supramolecular interactions in a {cation; metal complex; π-acid; solvent} anion-π system
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Accurate Computation of IGBT Junction Temperature in PLECS
PublicationIn the article, a new method to improve the accuracy of the insulated-gate bipolar transistor (IGBT) junction temperature computations in the piecewise linear electrical circuit simulation (PLECS) software is proposed and described in detail. This method allows computing the IGBT junction temperature using a nonlinear compact thermal model of this device in PLECS. In the method, a nonlinear compact thermal model of the IGBT is...
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Supramolecular cis-“Bis(Chelation)” of [M(CN)6]3− (M = CrIII, FeIII, CoIII) by Phloroglucinol (H3PG)
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Spleen: Consequences of Lack of Function
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Junctions In Shell Structures: A Review
PublicationMany shell structures used in modern technology consist of regular shell parts joined together along their common boundaries. We review different theoretical, numerical, and experimental approaches to modelling, analyses and design of the compound shell structures with junctions. Several alternative forms of boundary, continuity and jump conditions at the singular midsurface curves modelling the shell junction are reviewed. We...
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The smoothness test for a density function
PublicationThe problem of testing hypothesis that a density function has no more than μ derivatives versus it has more than μ derivatives is considered. For a solution, the L2 norms of wavelet orthogonal projections on some orthogonal ‘‘differences’’ of spaces from a multiresolution analysis is used. For the construction of the smoothness test an asymptotic distribution of a smoothness estimator is used. To analyze that asymptotic distribution,...
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Proton transfer and hydrogen bonds in supramolecular, self-assembled structures of imidazolium silanethiolates. X-ray, spectroscopic and theoretical studies
PublicationThe reaction of 1-methylimidazole, 2-ethyl-4-methylimidazole and 2-ethylimidazole with tris(2,6- diisopropylphenoxy)silanethiol (TDST) leads to the formation of three new salts, which have been characterized by elemental analyses, thermogravimetric analyses, FTIR spectroscopy, and their structures were determined by single-crystal X-ray diffraction. Structural analyses indicate that in all three compounds a proton transfer has...
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Aryl-perfluoroaryl stacking interactions: hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N'-diaryloxalamides
PublicationOtrzymano kilka struktur supramolekularnych N,N'-diarylooksamidów z silnymi donorami protonów tj. pentafluorofenolem (pfp) i kwasem pentafluorobenzoesowym (pfba), w celu zilustrowania roli współdziałania wiązań wodorowych i oddziaływań pi-elektronowych w tworzeniu uporządkowanych faz stałych. Wprowadzenie do struktury oksamidów objętościowych podstawników arylowych utrudniało tworzenie występujących pomiędzy cząsteczkami oksamidów...
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Supramolecular structures of bis-thionooxalamic acid esters derived from (±)-cyclohexane-1,2-diamine and (±)-1,2-diphenylethylenediamine
PublicationZsyntezowano dwa racemiczne estry kwasu bis(tiooksamowego) i zbadano ich sposób upakowania w sieci krystalicznej. Analiza rentgenograficzna monokryształów badanych związków wykazała, że organizują się one w jednowymiarowe struktury, które tworzone są przez molekuły o przeciwnej chiralności, połączone za pomocą trójcentrowych wiązań wodorowych C=S...NH...O=C. Powstające agregaty są dodatkowo stabilizowane przez słabe oddziaływania...
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Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N'-bis(2-pyridyl)aryldiamines
PublicationOtrzymano pięć krystalicznych kompleksów fenazyny z N,N'-bis(2-pirydylo)arylodiaminami i N'N'-difenylo-1,4-diamino-benzenem o różnej stechiometrii. Badania struktur tych kompleksów za pomocą metod rentgenograficznych wykazały, że powiązane wiązaniami wodorowymi typu NH...N cząsteczki fenazyny i arylodiamin układają się w stosy, które stabilizowane są poprzez oddziaływaniami typu π-π płaszczyzna-krawędź pierścieni aromatycznych....
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Optimization of vortex-assisted supramolecular solvent-based liquid liquid microextraction for the determination of mercury in real water and food samples
PublicationA novel method was developed for sample preparation for spectrophotometric determination of Hg(II) in water and food samples. The method was based on vortex-assisted supramolecular solvent-assisted liquid-liquid microextraction (VA-SUPRASs-LLME). Analytical parameters such as pH, chelating agent, solvent type and volume, vortex time and salting out effect were optimized. Surface and normal probability plots were drawn for the variables...
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Molecular structures and supramolecular architectures of two chromogenic 13-membered azobenzocrown ethers with a peripheral hydroxyl group in the benzene ring.
PublicationOkreślono strukturę krystaliczną dwóch pochodnych 13-członowego eteru azobenzokoronowego z peryferyjną grupą hydroksylową, metodą analizy rentgenostrukturalnej monokryształów. W stanie stałym 13-członowy eter azobenzokoronowy zawierający grupę OH jako podstawnik w pierścieniu aromatycznym w pozycji para do grupy azowej występuje w formie chinono-hydrazonu. Forma ta stabilizowana jest przez silne wewnątrzcząsteczkowe wiązanie wodorowe....
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Nonreciprocal properties of elliptical ferrite coupled line junction
PublicationIn this paper the nonreciprocal properties of el-liptical ferrite coupled line (EFCL) junction are examined. In the analysis the technique combining spectral-domain approach (SDA) with coupled-mode method (CMM) is applied. The nu-merical results concerning gyromagnetic coupling coefficient of ferrite coupled lines and scattering matrix of EFCL junction are presented. The obtained results are validated with the use of commercial...
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Nonreciprocity of a ferrite coupled microstrip-slot lines junction
PublicationW 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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FDTD-Compatible Green's function based on scalar discrete Green's function and multidimensional Z-transform
PublicationIn this contribution, a new formulation of the discrete Green's function (DGF) is presented for the finitedifference time-domain (FDTD) grid. Recently, dyadic DGF has been derived from the impulse response of the discretized scalar wave equation (i.e., scalar DGF) with the use of the multidimensional Z-transform. Its software implementation is straightforward because only elementary functions are involved and a single function...
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π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex
PublicationThe synthesis and characterization of a mixed metal ruthenium(II)/gold(III) complex bridged by tetrapyridophenazine (tpphz) are described. It is isostructural and isoelectronic to the well-known photocatalysts with palladium(II) or platinum(II). Concentration dependent 1H-NMR spectroscopy and XRD studies show that the electrostatic repulsion between the gold(III) moieties exceeds the attractive π-stacking interaction. Theoretical...
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Recurrence scheme for FDTD-compatible discrete Green's function derived based on properties of Gauss hypergeometric function
PublicationIn this paper, the formulation of one-dimensional FDTD (Finite-difference time-domain)-compatible discrete Green's function (DGF) is derived based on the Gauss hypergeometric function (GHF). The properties of GHF make it possible to derive the recurrence scheme only in the time domain for the DGF generation. Furthermore, this recurrence scheme is valid for any stable time-step size and can be implemented using standard numerical...
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Closed forms of the Green's function and the generalized Green's function for the Helmholtz operator on the N-dimensional unit sphere
PublicationPokazano, że funkcję Greena dla operatora Helmholtza na N-wymiarowej sferze jednostkowej można wyrazić przez funcję Gegenbauera pierwszego rodzaju. W tych przypadkach, w których funkcja Greena nie istnieje, skonstruowano uogólnioną funkcję Greena.
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Acceleration of the discrete Green's function computations
PublicationResults of the acceleration of the 3-D discrete Green's function (DGF) computations on the multicore processor are presented. The code was developed in the multiple precision arithmetic with use of the OpenMP parallel programming interface. As a result, the speedup factor of three orders of magnitude compared to the previous implementation was obtained thus applicability of the DGF in FDTD simulations was significantly improved.
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Accuracy of the discrete Green's function computations
PublicationThis paper discusses the accuracy of the discrete Green's function (DGF) computations. Recently closed-form expression of the DGF and its efficient numerical implementation were presented which facilitate the DGF applications in FDTD simulations of radiation and scattering problems. By carefully comparing the DGF results to those of the FDTD simulation, one can make conclusions about the range of the applicability of the DGF for...
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A procedure for elastoplastic hardening function identification.
PublicationThe inverse analysis method for identifying a nonlinear hardening function,which governs a plastic yielding of soil and rock materials in the framework of elastoplastic theory is presented. A concept of two stage finite element based on spatial discretization of computational space and hardening function space is introduced. The proposed inverse analysis can be classified as the output least squares method. The Levenberg Marquard...
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Load function walking pedestrian on the footbridge.
PublicationModern foot bridges are more and more sensitive to variable load created by moving pedestrians. These are several reasons for that. Quickly growing up road infrastructure forces us to build foot bridges just to reconnect one piece of land, separated now by the new road or railway. These bridges are lightweight because the only live load acting on them comes from pedestrians.The paper focuses on the definition of human induces dynamic...
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The nature of emitting states in electroluminescence of polymeric films do-ped with anthracene andanthracene-based supramolecules
PublicationZaobserwowano nową odmianę bi-molekularnych stanów wzbudzenia elektronowego w polimerowych jednowarstwowych diodach EL z molekułami antracenu wbudowanymi bezpośrednio w matrycę poliwęglanową, jak i pośrednio przez ich włączenie jako grup chromoforowych w dużych makromolekułach rotaxanowych. Stwierdzono, że obok typowej emisji ekscymerowej pojawia się długofalowe pasmo elektromerowe. Pasmo to związane jest z emisją kolumbowsko związanych...
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Simulation and experiment of radiating slot in a ground-plane of microstrip junction
PublicationW pracy przedstawiono badania numeryczne oraz eksperymentalne szczeliny promieniującej umieszczonej w płaszczyźnie masy złącza mikropaskowego. Złącze mikropaskowe składa się z linii mikropaskowej oraz rozwartego na końcu sęka. Szczelina umieszczona jest równolegle do linii mikropaskowej.
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Cylindrical ferrite coupled slotline junction for Faraday nonreciprocal devices
PublicationArtykuł opisuje metodę analizy i projekt cylindrycznego złącza ferrytowego i porównanie uzyskanych wyników z analogiczną strukturą planarną. W celu analizy badanej struktury zastosowano metodę hybrydową łączącą metodę momentów z metodą rodzajów sprzężonych.
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Nonreciprocal components using junction of a ferrite coupled microstrip lines
PublicationW oparciu o wyniki modelowania numerycznego zbadano efekty niewzajemne występujące w złączach ferrytowych linii sprzężonych. Opracowano metodyki projektowania złączy w technice linii mikropaskowej dla realizacji ferrytowych układów niewzajemnych. Przeprowadzono symulację parametrów transmisyjnych szeregu układów niewzajemnych wykonanych techniką zintegrowaną.
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Scattering in junction by posts consisting of a segment of conducting cy linder.
PublicationWykorzystując zmodyfikowaną procedurę iteracyjną i metodę dopasowania rodzajów opracowano teorię rozpraszania fali elektromagnetycznej w złączu falowodowym na obiektach będących wycinkami metalowego cylindra. W wyniku analizy uzyskano wielorodzajową macierz rozproszenia złącza falowodowego zawierającego opisywane elementy. Zarówno zmiana położenia jak i obrót elementu w złączu powoduje zmianę jego parametrów elektrycznych....
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Evaluation and cellular responses of modulators of TRF1/TRF2 protein’s function as potential anticancer drugs interfering with telomeric shelterin’s function
PublicationA number of proteins that interact with telomeres have been identified in human cells, indicating the high plasticity of human nucleoprotein complex organization. The most important complex is the "shelterin" complex, which consists of six proteins: TRF1, TRF2, TIN2, POT1, TPP1. The TRF1 and TRF2 directly bind to telomeric double-stranded DNA and the TIN2 protein. The TIN2 protein also binds to the TPP1 protein, stabilizing the...
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Green function diagonal for a class of heat equations
PublicationA construction of the heat kernel diagonal is considered as element of generalized zeta function theory, which gradient at the origin defines determinant of a differential operator in a technique for regularizing quadratic path integral. Some classes of explicit expressions of the Green function in the case of finite-gap potential coefficient of the heat equation are constructed. An algorithm and program for Mathematica are presented...
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Clothing sets with thermoregulation function for mine rescuers
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MutS3: a MutS homologue of unknown biological function
PublicationThe homologues of MutS proteins are widespread among both Prokaryotes and Eukaryotes. MutS designated as MutS1 is a part of MMR (mismatch repair) system which is responsible for removal of mispaired bases and small insertion/deletion loops in DNA. Initially, the only MutS homologues known were those engaged in mismatch repair and these were later designated as MutS1. Subsequently, the MutS2 homologue was distinguished. MutS2 does...
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Nitride LEDs and Lasers with Buried Tunnel Junctions
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ON AXIALLY SYMMETRIC SHELL PROBLEMS WITH REINFORCED JUNCTIONS
PublicationWithin the framework of the six-parameter nonlinear resultant shell theory we consider the axially symmetric deformations of a cylindrical shell linked to a circular plate. The reinforcement in the junction of the shell and the plate is taken into account. Within the theory the full kinematics is considered. Here we analyzed the compatibility conditions along the junction and their in uence on the deformations and stressed state.
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RSN reverse converter based on core function
Publicationzaprezentowano nową architekturę konwertera z systemu resztowego do systemu binarnego opartego na funkcji jądra dla modułów 5-bitowego. Zastosowano niekrytyczną funkcję jądra.Obliczanie funkcji jądra jest realizowane przy użyciu chińskiego twierdzenia dla funkcji jądra (CRTCF). Założono także, że jeden z modułów jest potegą 2. Architektura ta umożliwia zmniejszenie złożoności sprzętowej o ok. 12.5% w porównaniu z innymi architekturami...
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Hubbard operators approach to the transport in molecular junctions
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The productive function of the will in the pfilosophical thought of William James
PublicationW artykule przedstawiłem W. Jamesa koncepcję wolnej woli w jej wytwórczej funkcji. Pokazałem, że zrównuje ona ludzkie poznanie i ludzką aktywność. Następnie podkreśliłem, że wola ma wieloaspektowy charakter w formowaniu nowego "wewnętrznego człowieka". W związku z tym, zanalizowałem tzw. empiryczne 'ja' jako "niższe" i "wyższe" 'ja'. Z kolei podkreśliłem walor konsekwencji teleologicznej cechy ludzkiej...
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Firing map of an almost periodic input function
PublicationIn mathematical biology and the theory of electric networks the firing map of an integrate-and-fire system is a notion of importance. In order to prove useful properties of this map authors of previous papers assumed that the stimulus function f of the system ẋ = f(t,x) is continuous and usually periodic in the time variable. In this work we show that the required properties of the firing map for the simplified model ẋ = f(t) still...
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THE FUNCTION OF GREENERY IN A SKYSCRAPER: THE PLACEMENT AND ITS INFLUENCE
PublicationThe contrast between the high rise buildings; with their mostly geometric shapes, and the organic form of the greenery was visible even in the idea of a skyscraper. Yet the realizations and recent projects show emerging interest and the link between them. To better understand the developing function of the greenery in the context of a skyscraper, both literature and case studies are conducted. The aim is to relate the location...