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Wyniki wyszukiwania dla: CLASSICAL CAPACITIES OF QUANTUM
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Effect of synthesis method parameters on properties and photoelectrocatalytic activity under solar irradiation of TiO2 nanotubes decorated with CdS quantum dots
PublikacjaThe growing research interest on photoelectrocatalysis has encouraged the search for new materials with high activity and the development of methods for their synthesis. The successive ionic layer adsorption and reaction (SILAR) method is an effective way to synthesize materials with photoelectrocatalytic (PEC) properties that are active under visible radiation. Therefore, studies on the impact of the parameters of the SILAR method...
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In vitro biological evaluation of a novel folic acid-targeted receptor quantum dot−β−cyclodextrin carrier for C-2028 unsymmetrical bisacridine in the treatment of human lung and prostate cancers
PublikacjaTraditional small-molecule chemotherapeutics usually do not distinguish tumors from healthy tissues. However, nanotechnology creates nanocarriers that selectively deliver drugs to their site of action. This work is the next step in the development of the quantum dot−β−cyclodextrin−folic acid (QD−β−CD−FA) platform for targeted and selected delivery of C−2028 unsymmetrical bisacridine in cancer therapy.Herein, we report an initial...
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Ultralow lasing thresholds of VCSEL-type resonators with periodically structured quantum wells
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Fabrication of Durable Ordered Ta2O5 Nanotube Arrays Decorated with Bi2S3 Quantum Dots
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Optical and photocatalytic properties of rare earth metal-modified ZnO quantum dots
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Entanglement in S states of two-electron quantum dots with Coulomb impurities at the center
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What Can Be Observed Locally? Round based models for quantum distributed computing
PublikacjaW pracy rozważono zagadnienie lokalności w kontekście informacji kwantowej w obliczeniach rozproszonych. Rozważono dwa kwantowe rozszerzenia modelu LOCAL Liniala, otrzymane poprzez: (1) inicjalizację systemu w kwantowym stanie splątanym, (2) zastosowanie kwantowych kanałów komunikacyjnych. Dla obydwu typów rozszerzeń zaproponowano przykłady problemów, których złożoność rundowa ulega redukcji w porównaniu do oryginalnego modelu...
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From limits of quantum operations to multicopy entanglement witnesses and state spectrum estimation.
PublikacjaBadano ograniczenia na nieliniowe transformacje stanu kwantowego. Wprowadzono strukturalne fizyczne przybliżenia niefizycznych odwzorowań liniowych.Zdefiniowano świadków splątania działających na wielu kopiach danego stanu.Pokazano zastosowanie obserwabli kwantowych w detekcji entropii Tsallisa.
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Experimental and DFT insights into an eco-friendly photocatalytic system toward environmental remediation and hydrogen generation based on AgInS2 quantum dots embedded on Bi2WO6
PublikacjaBismuth tungstate (Bi2WO6) can work as a photocatalyst but suffers from rapid recombination of photogenerated charge carriers. Herein, density functional theory (DFT) simulations revealed that the formation of a thermodynamically stable AgInS2(112)/Bi2WO6(010) heterojunction could promote charge separation and enhance the photoactivity of Bi2WO6. To confirm these theoretical predictions, a new type of photocatalysts in the form...
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Preparation and photocatalytic properties of BaZrO 3 and SrZrO 3 modified with Cu 2 O/Bi 2 O 3 quantum dots
PublikacjaIn this study, we report a novel method of BaZrO3 and SrZrO3 surface modification by two different types of quantum dots (QDs, Cu2O and Bi2O3), which improved the photocatalytic performance of the obtained materials under UV-Vis light irradiation. Pristine BaZrO3 and SrZrO3 were prepared by the hydrothermal method. The deposition of Cu2O- and Bi2O3-QDs was carried out by chemical reduction. The morphology of the nanoparticles was...
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Asymptotic approximations of lasing eigenvalues of an infinite grating of circular quantum wires in the free space
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TG-FTIR, DSC and quantum chemical studies of the thermal decomposition of quaternary methylammonium halides
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Direct estimation of elements of algebra of quantum states and entanglement detection via linear contraction.
PublikacjaWykazano możliwość obliczenia elementów algebry generowanej przez macierze bez uprzedniej rekonstrukcji stanu. Ponadto wykazano, że pewne testy separowalności oparte o liniowe operacje zwężające można przeprowadzić bez uprzedniej rekonstrukcji badanych stanów.
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Non-relativistic quantum scattering from non-local separable potentials: the eignchannel approach
PublikacjaOstatnio sformułowana wersja metody kanałów własnych [R. Szmytkowski, Ann. Phys. (N.Y.) 311, 503 (2004)] została zastosowana do kwantowego rozpraszania cząstek Schroedingera na nielokalnych potencjałach separowalnych. Wektory kanałów własnych oraz ujemne kotangensy przesunięć fazowych zostały wprowadzone jako rozwiązania własne pewnego uogólnionego macierzowego zagadnienia na wartości własne, bez konieczności uprzedniej konstrukcji...
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Quantum dots conjugates with unsymmetrical bisacridines enhance cytotoxicity of these antitumor compounds in lung cancer cells and have protecting effects on normal cells
PublikacjaBackground: In recent years, with the rapid development of nanotechnology and its extensive applications in the medicine, nanocarriers for anticancer drug delivery have gained a great importance. Spherical semiconductor nanocrystals, frequently called quantum dots (QDs) are very attractive nanomaterials for bioimaging applications and they possess properties as potential candidates for drug carrier. Unsymmetrical bisacridines (UAs),...
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Effect of selective doping on the spatial dispersion of donor-induced quantum dots in Si nanoscale transistors
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Absolute Configuration Determination by Quantum Mechanical Calculation of Chiroptical Spectra: Basics and Applications to Fungal Metabolites
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Application of QSAR Analysis and Different Quantum Chemical Calculation Methods in Activity Evaluation of Selected Fluoroquinolones
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Bound entanglement maximally violating Bell inequalities: quantum entanglement is not fully equivalent to cryptographic security
PublikacjaW pracy pokazano, że czterokubitowy stan o splątaniu związanym może maksymalnie łamać prostą nierówność Bella podobną do standardowej nierówności CHSH. Prostota rozważanego układu oraz odporność splątania sprawiają, że łamanie to jest obiecujące dla współczesnej technologii eksperymentalnej. Z drugiej strony, splątanie tego stanu nie pozwala na destylację bezpiecznego klucza kryptograficznego, zatem ani splątanie, ani maksymalne...
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Ab Initio Analysis of a Quantum Dot Induced by a Local External Potential in a Semiconducting Carbon Nanotube
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Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol
PublikacjaThe electronic spectrum of alizarin (AZ) in methanol solution was measured and used as reference data for color prediction. The visible part of the spectrum was modelled by different DFT functionals within the TD-DFT framework. The results of a broad range of functionals applied for theoretical spectrum prediction were compared against experimental data by a direct color comparison. The tristimulus model of color expressed in terms...
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Excimer-based red-infrared organic light emitting diodes with very high quantum efficiency
PublikacjaW pracy opisano konstrukcję wydajnej organicznej ekscymerowej diody EL emitującej światło czerwone i podczerwone z wykorzystaniem organicznego kompleksu platyny.
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Experimental and Quantum Chemical Evaluation of 8-Hydroxyquinoline as a Corrosion Inhibitor for Copper in 0.1 M HCl
PublikacjaThe corrosion inhibition properties of 8-hydroxyquinoline (8-HQ) in 0.1 M HCl for copper have been investigated by using experimental (electrochemical impedance spectroscopy (EIS), dynamic electrochemical impedance spectroscopy (DEIS), and potentiodynamic polarization) and theoretical methods complemented by surface morphological examination with the aid of scanning electron microscopy (SEM) and electron dispersive X-ray spectroscopy...
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New Unsymmetrical Bisacridine Derivatives Noncovalently Attached to Quaternary Quantum Dots Improve Cancer Therapy by Enhancing Cytotoxicity toward Cancer Cells and Protecting Normal Cells
PublikacjaThe use of nanoparticles for the controlled drug delivery to cells has emerged as a good alternative to traditional systemic delivery. Quantum dots (QDs) offer potentially invaluable societal benefits such as drug targeting and in vivo biomedical imaging. In contrast, QDs may also pose risks to human health and the environment under certain conditions. Here, we demonstrated that unique combination of nanocrystals core components...
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Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations
PublikacjaEdaravone, acting as a cerebral protective agent, is administered to treat acute brain infarction. Its poor solubility is addressed here by means of optimizing the composition of the aqueous choline chloride (ChCl)-based eutectic solvents prepared with ethylene glycol (EG) or glycerol (GL) in the three different designed solvents compositions. The slurry method was used for spectroscopic solubility determination in temperatures...
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Core/Shell Quantum Dots Encapsulated in Biocompatible Oil-Core Nanocarriers as Two-Photon Fluorescent Markers for Bioimaging
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Quantum chemical modeling (DFT) of active species on the VWO catalyst surface in various redox conditions
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Exactly solvable model of two trapped quantum particles interacting via finite-range soft-core interactions
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Density Functional Theory Studies on Ir Spectra of the Triphenylene Derivatives. A Scaled Quantum Mechanical Force Field Approach
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High-electric-field quantum yield roll-off in efficient europium chelates-based light-emitting diodes
PublikacjaSkonstruowano dwuwarstwowe organiczne diody EL, w których warstwa transportująca dziury była domieszkowana organicznymi kompleksami europu. Maksymalna kwantowa wydajność świecenia takich diod osiągała w polu elektrycznym 1MV/cm wartość 5% foton/elektron. Wysokopolowy spadek kwantowej wydajności świecenia zinterpretowano na gruncie modelu Onsagera dysocjacji stanów emitujących.
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Anti-fouling and permeable polyvinyl chloride nanofiltration membranes embedded by hydrophilic graphene quantum dots for dye wastewater treatment
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Experimental and quantum chemical evidences for C–H⋯N hydrogen bonds involving quaternary pyridinium salts and pyridinium ylides
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Evaluation of Chemotherapeutic Activity of the Selected Bases’ Analogues of Nucleic Acids Supported by ab initio Various Quantum Chemical Calculations
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The role of tungsten in formation of active sites for no SCR on the V-W-O catalyst surface — quantum chemical modeling (DFT)
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Highly efficient organic electrophosphorescent light-emitting diodes with a reduced quantum efficiency roll off at large current densities.
PublikacjaW pracy opisano diody elektrofosforescencyjne zbudowane na bazie organicznych komplesów platyny PtOEP oraz Pt(thpy)2. Pokazano, ze mechanizmem ograniczjącym wydajność świecenia tych diod w zakresiedużych prądów elektycznych jest elektrycznopolowa dysocjacja ekscytonutrypletowego z transferem dziury na molekułę TPD.
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Activity Evaluation and Selection of Some Classes of Antibiotics with the use of Semi-Empirical Quantum Mechanics and Quantitative Structure- Activity Relationships Approach
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Toward mechanosynthesis of diamondoid sructures: viii. quantum-chemical molecular dynamics simulations of hexagonal silicon-iv structure synthesis with stm
Publikacjaw tej publikacji badano metodami kwantowo-chemicznymi różne strategie mechanosyntezy heksagonalnego krzemu iv. określono przybliżone warunki mechanosyntezy krzemu w formie lonsdaleitu za pomocą uhv-spm.
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Comparative study of donor-induced quantum dots in Si nano-channels by single-electron transport characterization and Kelvin probe force microscopy
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High pressure and time resolved studies of optical properties of n-type doped GaN/AlN multi-quantum wells: Experimental and theoretical analysis
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An insight into the mixed quantum mechanical-molecular dynamics simulation of a ZnII-Curcumin complex with a chosen DNA sequence that supports experimental DNA binding investigations
PublikacjaAn important aspect of research pertaining to Curcumin (HCur) is the need to arrest its degradation in aqueous solution and in biological milieu. This may be achieved through complex formation with metal ions. For this reason, a complex of HCur was prepared with ZnII, that is not likely to be active in redox pathways, minimizing further complications. The complex is monomeric, tetrahedral, with one HCur, an acetate and a molecule...
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An approach to constructing genuinely entangled subspaces of maximal dimension
PublikacjaGenuinely entangled subspaces (GESs) are the class of completely entangled subspaces that contain only genuinely multiparty entangled states. They constitute a particularly useful notion in the theory of entanglement but also have found an application, for instance, in quantum error correction and cryptography. In a recent study (Demianowicz and Augusiak in Phys Rev A 98:012313, 2018), we have shown how GESs can be efficiently...
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Extending loophole-free nonlocal correlations to arbitrarily large distances
PublikacjaQuantum theory allows spatially separated observers to share nonlocal correlations, which enable them to accomplish classically inconceivable information processing and cryptographic feats. However, the distances over which nonlocal correlations can be realized remain severely limited due to their high fragility to noise and high threshold detection efficiencies. To enable loophole- free nonlocality across large distances, we introduce...
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ON THE NON-LOCALITY OF TRIPARTITE NON-SINGALING BOXES EMERGING FROM WIRINGS
PublikacjaIt has been recently shown, that some of the tripartite boxes admittin g bilocal decom- position, lead to non-locality under wiring operation applied to t wo of the subsystems [R. Gallego et al. Physical Review Letters 109 , 070401 (2012)]. In the following, we study this phenomenon quantitatively. Basing on the known classes of bo xes closed un- der wirings, we introduce multipartite monotones which are count erparts of bipartite ones...
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Toward Mechanosynthesis of Diamondoid Structures: VI. Quantum-Chemical Molecular Dynamics Comparison of Conditions for the STM Tip Driven Mechanosynthesis on Hydrogenated Si(111), Si(110) and Si(100) Surfaces.
Publikacjamożliwość prototypowania przejściowych generacji nano-urządzeń otrzymanych drogą pozycjonowanej mechanosyntezy za pomocą stm wyposażonego w ostrze typu swcnt są analizowane metodą kwantowo-chemicznej dynamiki molekularnej. proponowana strategia syntezy polega na insercji atomów si oraz cząsteczek sih2 we wiązania si-h na uwodornionej powierzchni si(111), si(110) oraz si(100) kryształu krzemu. rezultaty modelowania sugerują, że...
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Toward Mechanosynthesis of diamondoid structures: III. Quantum-chemical study of silylene molecule and silicon atom transfer mechanism from caped SWCNT tip to the reaction center on a hydrogenated Si(111) surface
PublikacjaOpublikowana wcześniej (Modelling Simul. Mater. Sci. Eng., Vol. 7, 1999, pp. 43-58) strategia mechanosyntezy struktur krzemu na uwodornionej płaszczyźnie Si(111) została poszerzona poprzez uwzględnienie ostrza w postaci zamkniętej SWCNT jako urządzenia kontrolującego położenie cząsteczki sililenu oraz atomu krzemu.
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Predicting the seismic collapse capacity of adjacent SMRFs retrofitted with fluid viscous dampers in pounding condition
PublikacjaSevere damages of adjacent structures due to structural pounding during earthquakes have emphasized the need to use some seismic retrofit strategy to enhance the structural performance. The purpose of this paper is to study the influence of using linear and nonlinear Fluid Viscous Dampers (FVDs) on the seismic collapse capacities of adjacent structures prone to pounding and proposing modification factors to modify the median...
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Bioactive compounds and the antioxidant capacity in new kiwi fruit cultivars
PublikacjaThe aim of this investigation was to find the best among seven different kiwi fruit cultivars (‘Hayward’, ‘Daheung’, ‘Haenam’, ‘Bidan’, ‘Hort16A’, ‘Hwamei’ and ‘SKK12’) for human consumption and to classify them as groups. Therefore, the contents of bioactive compounds and the level of antioxidant capacities of these cultivars were determined in four different extracts and compared. It was found that the contents of the bioactive...
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Enhancing Seismic Performance of Semi-rigid Connection Using Shape Memory Alloy Bolts Considering Nonlinear Soil–Structure Interaction
PublikacjaSteel Moment-Resisting Frames (SMRFs) have their lateral resistance for their rigid connections, while real conditions have shown that the rigidity of a connection depends on the bolts and the end-plate thickness, which may not provide the assumed rigidity in design process. In this research, the main goal is to enhance the semi-rigid connections using shape memory alloy (SMA) bolts and explore their effects on the seismic limit-state...
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Predicting the seismic collapse capacity of adjacent structures prone to pounding
PublikacjaIn crowded cities, many structures are often constructed in a very close vicinity; therefore, during severe earthquakes, pounding phenomenon occurs due to out-of-phase vibrations of adjacent structures. In this study, pounding of adjacent structures is investigated up to the occurrence of total collapse. The novelty of this study is performing incremental dynamic analyses to compute the seismic collapse capacities of both pounding...
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Universal construction of genuinely entangled subspaces of any size
PublikacjaWe put forward a simple construction of genuinely entangled subspaces – subspaces supporting only genuinely multipartite entangled states – of any permissible dimensionality for any number of parties and local dimensions. The method uses nonorthogonal product bases, which are built from totally nonsingular matrices with a certain structure. We give an explicit basis for the constructed subspaces. An immediate consequence of our...