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Search results for: C‑1311
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Massively parallel linear-scaling Hartree–Fock exchange and hybrid exchange–correlation functionals with plane wave basis set accuracy
PublicationWe extend our linear-scaling approach for the calculation of Hartree–Fock exchange energy using localized in situ optimized orbitals [Dziedzic et al., J. Chem. Phys. 139, 214103 (2013)] to leverage massive parallelism. Our approach has been implemented in the ONETEP (Order-N Electronic Total Energy Package) density functional theory framework, which employs a basis of non-orthogonal generalized Wannier functions (NGWFs) to achieve...
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Cyclic deformation and fracture behaviour of additive manufactured maraging steel under variable-amplitude loading
PublicationThe cyclic deformation and fracture behaviour of 18Ni300 maraging steel produced by laser beam powder bed fusion is studied under variable-amplitude loading. The tests were conducted under fully-reversed strain-controlled conditions with a loading sequence comprising three ascending cycles and three descending cycles repeated sequentially until failure. After the tests, fracture surfaces were examined using height and volume surface...
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Radioimmunotherapy Confers Long-Term Survival to Lymphoma Patients with Acceptable Toxicity: Registry Analysis by the International Radioimmunotherapy Network
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A comparative study of the molecular lipophilicity indices of vitamins A and E, and of some precursors of vitamin A, estimated by HPLC and by different computation methods
PublicationIndeksy lipofilowości witamin A i E oraz wybranych prekursorów witaminy A zostały obliczone na podstawie wyników badań z wykorzystaniem wysokosprawnej chromatografii cieczowej z odwróconym układem faz (RPHPLC) i kolumn chromatograficznych typu C-8 i C-18.Uzyskano doskonałe współczynniki korelacji (>0,9999) dla wyników uzyskanych dla tych dwóch typów kolumn chromatograficznych.
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Albuminy 2S - roślinne białka zapasowe o właściwościach alergennych
PublicationRoślinne albuminy 2S są znane jako białka zapasowe obecne w nasionach niektórych roślin jadalnych, takich jak: soja, słonecznik, gorczyca i orzech brazylijski. Białka te posiadają niezwykłą strukturę drugorzędową, będącą wynikiem obecności bogatych w cysteinę motywów C-Xn-CXn-CC-Xn-CXC-Xn-C-Xn-C oraz czterech wiązań disiarczkowych. Dzięki tej strukturze, albuminy 2S są odporne na obróbkę termiczną i proteolizę. Niektóre z tych...
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HIGH LEVEL SYNTHESIS IN FPGA OF TCS/RNS CONVERTER
PublicationThe work presents the design process of the TCS/RNS (two's complement–to– residue) converter in Xilinx FPGA with the use of HLS approach. This new approach allows for the design of dedicated FPGA circuits using high level languages such as C++ language. Such approach replaces, to some extent, much more tedious design with VHDL or Verilog and facilitates the design process. The algorithm realized by the given hardware circuit is...
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Performance of the very high-temperature heat pump with low GWP working fluids
PublicationTraditional heat pumps are a very attractive pro-ecological solutions for a number of applications, including providing of heating or heat recovery from industrial processes. The application range of heat pumps could be greatly enlarged when the operating temperature would be increased to 130-150°C and/or the temperature lift can be increased to 50-100 K. In the paper, the very high temperature vapour-compressor based single stage...
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Pyrolysis of RDF and Catalytic Decomposition of the Produced Tar in a Char Bed Secondary Reactor as an Efficient Source of Syngas
PublicationOne of the technical limitations of refuse-derived fuel (RDF) pyrolysis is the high content of tar in its gas products. In order to resolve this problem, a two-stage RDF pyrolysis with a catalyst based on char from RDF pyrolysis is proposed. This paper presents the results of municipal waste pyrolysis beginning in an oven heated to 480 °C and ending with catalytic tar cracking carried out in the temperature range from 800 to 1000...
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Praseodymium Orthoniobate and Praseodymium Substituted Lanthanum Orthoniobate: Electrical and Structural Properties
PublicationIn this paper, the structural properties and the electrical conductivity of La1−xPrxNbO4+δ (x = 0.00, 0.05, 0.1, 0.15, 0.2, 0.3) and PrNbO4+δ are presented and discussed. All synthesized samples crystallized in a monoclinic structure with similar thermal expansion coefficients. The phase transition temperature between the monoclinic and tetragonal structure increases with increasing praseodymium content from 500 ◦C for undoped...
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Efficient Selenenylation of Malonates Using Bis(phosphorothioyl) Diselenide
PublicationBis(O,O-diisopropoxyphosphinothioyl) diselenide reacts readily and quickly with the sodium salt of malonates to give quantitatively stable sodium 2-(O,O-diisopropyl phosphorothioselenenyl)propanedioates. No traces of the corresponding C,C-diselenenylation products were detected. A standard aqueous workup procedure affords the products, albeit in poor yield (about 45%). It was proved that the reaction is reversible due to the presence...
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Effect of temperature and gaseous medium on the structure and microhardness of the cobalt base clad layers
PublicationBadano wpływ temperatury utleniania na mikrostrukturę i mikrotwardość napawanych warstw ze stopu kobaltu. Warstwy wytwarzano za pomocą napawania plazmowego (pta) na przylgniach zaworów wylotowych wykonanych ze stali x40CrSiMo10-2. Stop kobaltu był poddany utlenianiu w powietrzu w temperaturach od 750 °C to 1100 °C i w gazach wylotowych w temperaturze 750 °C. W wyniku utleniania zaobserwowano zmanę w mikrotwardości warstw. W zewnętrznej...
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Synteza i badanie struktury nanoprętów V2O5 wytworzonych metodą zol-żel
PublicationPraca ta przedstawia wyniki badań struktury cienkich warstw tlenku wanadu otrzymanych metodą zol - żel. Cienkie warstwy osadzano metodą spin - coating na podłożach ze szkła kwarcowego oraz krzemowych a następnie wygrzewano w różnych temperaturach w zakresie od 400 °C do 600 °C w celu określenia optymalnej temperatury krystalizacji nanoprętów. Otrzymane próbki przebadano metodą dyfraktometrii rentgenowskiej, skaningowym mikroskopem...
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Novel method for metal-oxide glass composite fabrication for use in thermoelectric devices
PublicationA novel method for thermoelectric materials fabrication using a reduction of oxide precursors in hydrogen was reported. On the example of Bi-Sb, Bi-Sb-Te and Te-Ag-Ge-Sb compounds it was shown that this simple and easy method is suitable for fabrication of two-, three- and even multicomponent thermoelectric materials. It allows controlling a composition, microstructure and even type a of electrical charge carriers. As a result...
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Interaction of SrTi0.65Fe0.35O3-δ with LaNi0.6Fe0.4O3-δ, La0.6Sr0.4Co0.2Fe0.8O3-δ and Ce0.8Gd0.2O2-δ
PublicationIron doped strontium titanates SrTi1-xFexO3-δ are perovskites of versatile properties. They can be used in solid oxide fuel cells or high temperature oxygen sensors. Their reactivity with electrolyte materials, cathode buffer layer materials, other cathode materials or current collector layers has not been fully tested. In this study we use X-ray diffraction to check SrTi0.65Fe0.35O3-δ compatibility with Ce0.8Gd0.2O2-δ (used as...
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The influence of thermal conditions on V2O5 nanostructures prepared by sol-gel method
PublicationThis work presents the result of structure investigations ofV 2O5 nanorods grown from thin films and powders prepared by sol-gel method. To examine the best temperature of nanorods crystallization, thin films deposited by spin-coating method on quartz glass or silicon substrates and bulk xerogel powders were annealed at various temperatures ranging from 100∘C to 600∘C. The structure of the samples was characterized by X-ray diffraction...
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5-Bromo-2′-deoxycytidine—a potential DNA photosensitizer
PublicationA double-stranded oligonucleotide, 80 base pairs in length, was multiply labeled with 5-bromo-2′-deoxycytidine (BrdC) using polymerase chain reaction (PCR). The modified oligonucleotide was irradiated with 300 nm photons and its damage was assayed by employing DHPLC, LC-MS and denaturing polyacrylamide gel electrophoresis (PAGE). Two types of damage were demonstrated, namely, single strand breaks (SSBs) and intrastrand cross-links...
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An investigation of selected monoaromatic hydrocarbons released from the surface of polystyrene lids used in coffee-to-go cups
PublicationA consumer trend towards the fast preparation of beverages has increased the popularity of hot beverages (especially coffee and tea) available in disposable containers called coffee-to-go cups with fitted polystyrene lids. Lids in contact with hot beverages may release low molecular weight organic compounds into the gaseous phase causing direct exposure of consumers to these compounds during drinking. The paper describes in detail...
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Nonlinear Properties of Seawater as a Factor Determining Nonlinear Wave Propagation
PublicationTaking practical advantage of nonlinear acoustical interactions occurring in seawater [1, 2] requires knowledge of the parameter of nonlinearity B=A of this medium. The literature does not offer much reports on B=A parameter value for seawater. In the few papers concerning that address the issue, results concerning ocean waters with high salinity and at large depths are given [3], while studies concerning seawater with low salinity...
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Effect of Functionalization of Reduced Graphene Oxide Coatings with Nitrogen and Sulfur Groups on Their Anti-Corrosion Properties
PublicationElectrophoretic production of anticorrosion carbonaceous coatings on copper could be successfully performed by anodic oxidation of negatively charged graphene platelets suspended in an aqueous solution. The various platelets were synthesized by Hummer’s method followed by a hydrothermal reduction in the presence of NH4SCN which was expected to substitute some parts of graphene structure with nitrogen and sulfur groups. X-ray photoelectron...
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Effects of Na+, K+ and B3+ Substitutions on the Electrical Properties of La10Si6O27 Ceramics
PublicationDoping of Na and K at La sites and of B at Si site in La10Si6O27 with oxyapatite structure and fabrication of their ceramics were made by the solid-state reaction method. It was found that partial substitution of Na+ and K+ on La sites decreased the sinterability of the La10Si6O27 based ceramics, whereas partial substitution of B3+ on the Si site improved the sinterability. Na+ and K+ substitutions in La10−xNaxSi6O27−x and La10−xKxSi6O27−x...
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The influence of moderate pressure and subzero temperature on the shelf life of minced cod, salmon, pork and beef meat
PublicationThe effect of moderate pressure at subzero temperature on natural microflora of minced cod, salmony, pork and beef meat was studied. Pressure of 193 MPa at –20 °C caused reduction of total bacterial count in pork and beef meat by 1.1 and 0.6 log cycles, respectively, and by about 1.5 log cycles in fish meat. Under these conditions the psychrophilic and psychrotophic bacteria were below the detection limit (<10CFU/g of sample) in...
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The effect of high pressure and subzero temperature on gelation of washed cod and salmon meat
PublicationThe objective of the present work is to examine the infl uence of pressure up to 193 MPa at subzero temperature (without freezing of water) on myofi brillar proteins of salmon and cod meat and on the properties of gels obtained from washed mince of these fi sh. The solubility of proteins from myofi brils of cod and salmon meat suspended in 100 mM KCl solution increased aft er treating the samples with pressure above 60 MPa. The...
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Electron collisions with methyl-substituted ethylenes: Cross section measurements and calculations for 2-methyl–2-butene and 2,3-dimethyl–2-butene
PublicationWe report electron-scattering cross sections determined for 2-methyl–2-butene [(H3C)HC==C(CH3)2] and 2,3-dimethyl–2-butene [(H3C)2C=C(CH3)2] molecules. Absolute grand-total cross sections (TCSs) were measured for incident electron energies in the 0.5–300 eV range, using a linear electron-transmission technique. The experimental TCS energy dependences for the both targets appear to be very similar with respect to the shape. In each...
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Two complementary approaches for the synthesis and isolation of stable phosphanylphosphaalkenes
PublicationPhospha-Wittig (phosphanylphosphinidene titanium(IV) complex) and phospha-Peterson (lithiated diphosphane) reactions were used to obtain phosphanylphosphaalkenes with the general formula XYC=P-PtBu2 (X = alkyl, aryl group or H; Y = alkyl or aryl group). Therefore, two series of reactions with different ketones and aldehydes were performed. An examination revealed that the two methods are complementary. For smaller carbonyl compounds,...
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The electronic excited states of dichloromethane in the 5.8-10.8 eV energy range investigated by experimental and theoretical methods
PublicationWe present a comprehensive experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectrum of dichloromethane, CH 2 Cl 2 , with absolute cross sections determined for the full 5.8–10.8 eV energy-range. The calculations on the vertical excitation energies and oscillator strengths were performed using the equation-of-motion coupled cluster method, restricted to the single and double excitations level (EOM-CCSD), and...
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Mechanisms of azole resistance among clinical isolates of Candida glabrata in Poland
PublicationCandida glabrata is currently ranked as the second most frequently isolated aetiological agent of human fungal infections, next only to Candida albicans. In comparison with C. albicans, C. glabrata shows lower susceptibility to azoles, the most common agents used in treatment of fungal infections. Interestingly, the mechanisms of resistance to azole agents in C. albicans have been much better investigated than those in C. glabrata....
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Composition and antimicrobial activity of fatty acids detected in the hygroscopic secretion collected from the secretory setae of larvae of the biting midge Forcipomyia nigra (Diptera: Ceratopogonidae)
PublicationThe hygroscopic secretion produced by the secretory setae of terrestrial larvae of the biting midge Forcipomyia nigra (Winnertz) was analysed using gas chromatography coupled with mass spectrometry (GC-MS). The viscous secretion is stored at the top of each seta and absorbs water from moist air. GC-MS analyses (four independent tests) showed that the secretion contained 12 free fatty acids, the most abundant of which were oleic...
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Resistance of human prostate carcinoma cells to a new antitumor compound capridine beta is associated with changed drug metabolism combined with both inherent and drug-induced overexpression of ABC transporters
PublicationW pracy charakteryzujemy mechanizm oporności na nową pochodną 1-nitroakrydyny, związku capridine beta (C-1748) o wysokiej aktywności przeciwnowotworowej, znajdującego się w badaniach klinicznych. Nasze dane wskazują, że oporność na ten związek jest wynikiem zmienionego metabolizmu inaktywującego C-1748 oraz wzrostem ekspresji pompy błonowej ABCG2 a także innych białek transportowych typu ABC.
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Ocena przydatności bakterii Thermus ruber jako źródła termostabilnej alfa-glukozydazy użytecznej do wytwarzania syropów glukozowych
PublicationThermus ruber wytwarza alfa-glukozydazę o maksymalnej aktywności w temperaturze 65 C i przy pH 6,0. Wymieniony enzym zachowuje aktywność w zakresie pH 5,5-8,0 i prawie nie zmniejsza aktywności po 60 min inkubacji w 65 C. Szybkość hydrolizy maltozy, maltotetraozy, maltopentaozy oraz maltoheksaozy maleje wraz ze wzrostem masy cząsteckowej substratu.
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High-temperature heat pumps – new devices for heat recovery and production of technological steam
PublicationIn the paper, the original high temperature compressor based heat pump with a dry working fluid, i.e. the one in which the slope of saturated vapour line is positive, was presented. The objective of the paper is to investigate the possibility of preparation of technological steam with tempperature 120 C from the waste heat resource at temperature of 50 C. Single comppression cycles as well as cascade systems have been considered...
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[Chapter] 22. Application of physical modeling to study combustion process-es and flow patterns in large-scale boilers and furmaces. W: Optical me- thods and data processing in heat and fluid flow. Ed. C. Greated, J. Cos-grove, J.M. Buick. Bury St. Edmunds. London: Profess. Eng. Publ.**2002 s. 267-277, 4 rys. bibliogr. 6 poz. Zastosowanie modelowania fizycznego do badania procesów spalania pola prze- pływu w przemysłowych kotłach i piecach.
PublicationRozdział zawiera wyniki badań modelowania fizycznego dwuwymiarowego i trój-wymiarowego pola przepływu i procesów spalania w wybranych urządzeniachprzemysłowych.
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Interaction of low energy electrons with formic acid monomer, dimer and trimer
PublicationConfigurations of the formic acid monomer, dimer and trimer are presented. We have calculated the total energies for these structures. We have considered also the negatively charged clusters and discussed the possible pathways of interaction of low energy electrons with monomers and clusters. Calculations have been executed using 6-311G** and 6-311++G** basis sets. The electron affinities of monomer and clusters are presented....
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Non-relativistic quantum scattering from non-local separable potentials: the eignchannel approach
PublicationOstatnio 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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Ocena przydatności bakterii Thermus ruber jako źródła syntazy trehalozy
PublicationWykazano, że termofilna bakteria Thermus ruber jest źródłem syntazy trehalozy,katalizującej wewnątrzcząsteczkową transglikozylację maltozy. Wymieniony enzym przejawia największą aktywność w temp. 65 st. C przy pH 6,5. Najlepszą wydajność syntazy trehalozy uzyskiwano podczas hodowli bakterii w 55 st. C na podłożu zawierającym 0,5% peptonu 0,1% wyciągu drożdżowego i 0,5% maltozy lub skrobi.
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Quantum corrections to quasi-periodic solution of Sine-Gordon model and periodic solution of phi^4 model
PublicationAnalytical form of quantum corrections to quasi-periodic solution of Sine-Gordon model and periodic solution of phi^4 model is obtained through zeta function regularisation with account of all rest variables of a d-dimensional theory. Qualitative dependence of quantum corrections on parameters of the classical systems is also evaluated for a much broader class of potentials u(x) = b^2 f(bx) + C with b and C as arbitrary real constants
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Derivatives of 1-nitroacridine induce apoptosis only in a limited number of human colon adenocarcinoma cells
PublicationPraca dotyczy indukcji apoptozy w komórkach ludzkich raków okrężnicy HT29 i HCT8 pod wpływem pochodnych 1-nitroakrydyny: C-857 i C-1748. Wykazano, że związki te w stężeniach biologicznie istotnych (EC90) indukują apoptozę tylko w części populacji komórek. Efekt ten uzależniony był od czasu inkubacji komórek ze związkiem, a nie zależał od stężenia związku.
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Nitrogen-Incorporated Boron-Doped Nanocrystalline Diamond Nanowires for Microplasma Illumination
PublicationThe origin of nitrogen-incorporated boron-doped nanocrystalline diamond (NB-NCD) nanowires as a function of substrate temperature (Ts) in H2/CH4/B2H6/N2 reactant gases is systematically addressed. Because of Ts, there is a drastic modification in the dimensional structure and microstructure and hence in the several properties of the NB-NCD films. The NB-NCD films grown at low Ts (400 °C) contain faceted diamond grains. The morphology...
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Fast collaborative graph exploration
PublicationWe study the following scenario of online graph exploration. A team of k agents is initially located at a distinguished vertex r of an undirected graph. At every time step, each agent can traverse an edge of the graph. All vertices have unique identifiers, and upon entering a vertex, an agent obtains the list of identifiers of all its neighbors. We ask how many time steps are required to complete exploration, i.e., to make sure...
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Fast Collaborative Graph Exploration
PublicationWe study the following scenario of online graph exploration. A team of k agents is initially located at a distinguished vertex r of an undirected graph. At every time step, each agent can traverse an edge of the graph. All vertices have unique identifiers, and upon entering a vertex, an agent obtains the list of identifiers of all its neighbors. We ask how many time steps are required to complete exploration, i.e., to make sure...
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Process Control Challenges and Solutions: TEOS, W, and CU CMP
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Oxidation and hydrogen behavior in Zr-2Mn alloy
PublicationThe purpose of the present research was to determine the oxidation and hydrogenation behavior in the new Zr-2Mn alloy. The oxidation of alloy was performed at temperatures between 350°C and 900°C for 30 minutes. The hydrogen charging was made for 72 h at a current density 80 mA/cm2. The charged samples were heat treated at 400°C for 4 h to obtain a uniform hydrogen profile content across the sample. The oxidation resulted in an...
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The effect of calcination temperature on structure and photocatalytic properties of Au/Pd nanoparticles supported on TiO2
PublicationBimetallic nanoparticles, composed of two different metal elements, can exhibit peculiar electronic, optical, and catalytic or photocatalytic properties that are absent in the corresponding monometallic nanoparticles. We show the effect of calcination temperature (from 350 to 700°C) on the structure and the photocatalytic properties of Au/Pd-modified TiO2. The composition of the bimetallic Au/Pd nanoparticles in relation to their...
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Fabrication of high-density nitrogen-vacancy (NV) center-enriched diamond particles through methyl trityl amine (C20H19N) seeding
PublicationDiamond particles (DPs) show promise for advanced applications in bioimaging and quantum sensing due to the presence of defect centers. This work reports a unique growth process for diamond particles composed of nitrogen-vacancy centers (NV-DPs) using a methyl trityl amine (C20H19N) diamondoid seed, which acts as a nitrogen source for NV creation. Growth was performed via microwave plasma-assisted chemical vapor deposition in a...
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In vivo and in vitro study of a novel nanohydroxyapatite sonocoated scaffolds for enhanced bone regeneration
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Properties of Charge Carrier Traps in Lu2O3:Tb,Hf Ceramic Storage Phosphors Observed by High-Pressure Spectroscopy and Photoconductivity
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Energy Level Structure of Bi3+ in Zircon and Scheelite Polymorphs of YVO4
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Synergetic effect-triggered performance promotion of Sr3−xBaxP5N10Cl:Eu2+ phosphors
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Luminescence Spectra of β-SiAlON/Pr3+ Under High Hydrostatic Pressure
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Thermal stabilization and energy transfer in narrow-band red-emitting Sr[(Mg2Al2)1−y(Li2Si2)yN4]:Eu2+phosphors
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Dual-emission Eu-doped Ca2−xSrxPN3 nitridophosphate phosphors prepared by hot isostatic press
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