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Chromium Cluster Luminescence: Advancing Near‐Infrared Light‐Emitting Diode Design for Next‐Generation Broadband Compact Light Sources
Dane BadawczeIn modern technology devices, an energy-saving miniature near-infrared (NIR) light source plays a critical role in non-destructive, non-invasive sensing applications and further advancement of technology. This dataset reports the broadband NIR luminescence of Cr3+ clusters for designing phosphor-converted NIR light-emitting diodes as an alternative...
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Partition of friction heat between sliding semispaces due to adhesion-deformational heat generation
PublikacjaAnalytical expressions of heat-partition coefficient and contact temperatures for two sliding semispaces with account for adhesion-deformational heat generation and contact heat exchange have been obtained. The rate of deformational heat generation is assumed to decay exponentially with increase of distance from the interface. It has been shown that heat-generation configuration and the intensity of contact heat exchange have impact...
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Pore Water Pressure Development in Soft Soil due to Installation and Loading of Controlled Modulus Columns
PublikacjaExcess pore water pressure (EPWP) development and decay due to the installation and static loading tests of controlled modulus columns (CMC) in soft soil was measured with piezometers equipped with low air entry (LAE) filters and a piezocone (CPTU) equipped with a high air entry (HAE) filter. The HAE filter allows for detailed detection of EPWP in short time intervals during construction of CMC. The influence zone due to the installation...
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Optimization of the femtosecond laser impulse for excitation and the Spin-Orbit mediated dissociation in the NaRb Dimer
PublikacjaWe study the dynamics of multiple coupled states under the influence of an arbitrary time-dependent external field to investigate the femtosecond laser-driven excitation and the spin-orbit mediated dissociation in the NaRb dimer. In this process, the dimer is excited from the ground triplet state 1^3Sigma+ to the 1^3Pi state using the femtosecond laser impulse and the spin-orbit coupling between the 1^3Pi and 2^1Sigma+ states results...
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Dynamic Signal Strength Mapping and Analysis by Means of Mobile Geographic Information System
PublikacjaBluetooth beacons are becoming increasingly popular for various applications such as marketing or indoor navigation. However, designing a proper beacon installation requires knowledge of the possible sources of interference in the target environment. While theoretically beacon signal strength should decay linearly with log distance, on-site measurements usually reveal that noise from objects such as Wi-Fi networks operating in...
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Estimation of a smoothness parameter by spline wavelets
PublikacjaWe consider the smoothness parameter s*(f) of a function f∈L2(R) in terms of Besov spaces. The existing results on estimation of smoothness [K. Dziedziul, M. Kucharska and B. Wolnik, J. Nonparametric Statist. 23 (2011)] employ the Haar basis and are limited to the case 0
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The rovibrational energy levels of the diatomic silver anion and neutral silver dimer
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Spontaneous electron emission vs dissociation in internally hot silver dimer anions
PublikacjaReferring to a recent experiment, we theoretically study the process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag. The ground state potential energy curves of the silver molecules of diatomic neutral and negative ion were calculated using proper pseudo-potentials and atomic basis sets. We also estimated the non-adiabatic...
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Does the coordinated development of two-way FDI increase the green energy efficiency of Chinese cities? Evidence from Chinese listed companies
PublikacjaBased on the evidence from listed company microdata and data from 285 cities in China, this paper studies the coordinated development of two-way FDI (CDFDI) in improving green energy efficiency (GEE). In particular, this paper examines the spatial heterogeneity effects of CDFDI on GEE. The results showed that CDFDI had a positive impact on the GEE of local and surrounding cities. Mechanistic examinations show that the effects...
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Influence of controlled crystallization and SrF2 content on the structure and properties of Eu3+ doped phosphate glasses
PublikacjaNew phosphate glasses and glass-ceramics P2O5–Bi2O3–K2O–Nb2O5-SrF2 doped with Eu were synthesized and studied in this work. The influence of the SrF2 content (0–15 mol%) and the parameters of the heat treatment on their structural and optical properties were investigated. For the above purpose, the structural characterization by FTIR spectroscopy and XRD measurements was carried out, which showed a significant effect of SrF2 on...
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Potential energy curves and spectroscopic parameters of the diatomic silver anion and neutral silver dimer
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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The spontaneous electron emission and rotational predissociation lifetimes of the diatomic silver anion
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Photophysics of Soret-Excited Tin(IV) Porphyrins in Solution
PublikacjaThe photophysics of low-chlorin tin(IV) tetraphenylporphyrin dihydroxide, a core building block for axially substituted supramolecular tin porphyrin constructs, has been studied in a variety of hydrogen-bonding, nonpolar, and aprotic polar solvents using steady-state, nanosecond, and femtosecond time-resolved emission, and femtosecond time-resolved absorption methods. In hydrogen-bonding solvents the metalloporphyrin exists as...
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Photophysics of Ru(II) Dyads Derived from Pyrenyl-Substitued Imidazo[4,5-f][1,10]phenanthroline Ligands.
PublikacjaThe photophysics of a series of Ru(II) dyads based on the 2-(1-pyrenyl)-1H-imidazo[4,5-f][1,10]-phenanthroline ligand was investigated. The ability of these metal complexes to intercalate DNA and induce cell death upon photoactivation makes them attractive photosensitizers for a range of photobiological applications, including photodynamic therapy. In the present study, time-resolved transient absorption and emission spectroscopy...
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Electronic structure and rovibrational predissociation of the 2^1Π state in KLi
PublikacjaAdiabatic potential energy curves of the 3^1Σ^+, 3^3Σ^+, 2^1Π and 2^3Π states correlating for large internuclear distance with the K(4s) + Li(2p) atomic asymptote were calculated. Very good agreement between the calculated and the experimental curve of the 2^1Π state allowed for a reliable description of the dissociation process through a small (∼20 cm−1 for J = 0) potential energy barrier. The barrier supports several rovibrational...
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Photoluminescence of partially reduced Eu2+/Eu3+ active centers in a NaF–Al2O3–P2O5 glassy matrix with tunable smooth spectra
PublikacjaIn this work, a series of photoluminescent materials have been synthesized based on optically transparent and chemically stable glasses of the nominal composition Na3Al2(PO4)2F3 (NaF–Al2O3–P2O5 system) doped with 1 wt% of europium. It has been shown that the synthesis conditions (mainly the temperature and duration of the melting stage under reducing conditions) strongly affected the photoluminescence spectra of the material. This...
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Near-Infrared III Nanophosphorswith Cr3+Ni2+ Energy Transfer for Bioimaging
Dane BadawczeIn the biomedical field, the use of fluorescence imaging in the second near-infrared (NIR-II) region is growing rapidly because it imparts the advantages of reduced autofluorescence and low photon scattering. The advantage of reduced scattering is that it increases penetration depth in vivo and improves imaging clarity. Herein, this work uses mesoporous...
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Optimization of the femtosecond laser impulse for excitation and the spin-orbit-mediated dissociation in the NaRb molecule
Dane BadawczeHigh accuracy ab initio potential energy curves (1tSigma+, 2sSigma+, 1tPi), electronic transition dipole moment function (1tSigma+ - 1tPi), and spin-orbit coupling (2sSigma+ - 1tPi) have been calculated for the NaRb molecule. The time-dependent excitation and dissociation processes in the polar alkali diatomic NaRb molecule and the quantum properties...
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Dissociative ionization dynamics of dielectric gas C3F7CN
PublikacjaFluoronitrile C3F7CN is a promising candidate for the replacement of SF6 dielectric gas in high-voltage insulation. We present a combined experimental and theoretical study on its ionization dynamics probed in the 0-100 eV energy range. We exploited the total ion collection technique to determine the absolute ionization cross section, mass spectrometry to determine the fragment branching ratios and ab initio nonadiabatic molecular...
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Friction-Induced Oscillations of a Non-Asbestos Organic Pin Sliding on a Steel Disc
PublikacjaFriction-induced oscillations result in deterioration of performance of disc brakes and are generally undesired. We conduct experimental study of friction-induced oscillations in a non-asbestos organic material / steel pair used in disc brakes of motor vehicles. The tests are done by use of a pin-on-disc machine which has the pin sample supported on a deformable beam. The adjustable friction parameters are the disc velocity, contact...
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SUBSOIL CHARACTERISTICS OF THE VISTULA RIVER DIKES
PublikacjaThe results of CPTU tests are used to determine the strength parameters of a dike subsoil. Stress state and stress history of the subsoil under the flood embankment was evaluated with CPTU and DMT tests. Normally consolidated soil was found under the central part of the dike, while the subsoil near the dike toe is found to be overconsolidated. Due to consolidation the undrained shear strength of the subsoil under the central part...
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Study of Icosahedral Clusters in Close-packed Simple Liquids
PublikacjaThe local structure of liquid copper was determined using Steinhardt order parameters, with particular attention paid to icosahedral clusters. The positions of atoms were obtained from three sets of molecular dynamics simulations, with the forces obtained from: the Sutton-Chen (SC) potential, the Naval Research Laboratory total energy tight-binding (NRL-TB) method and the divide-and-conquer learn-on-the-fly (DCLOTF) method, respectively....
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Unraveling Luminescent Energy Transfer Pathways: Futuristic Approach of Miniature Shortwave Infrared Light-Emitting Diode Design
Dane BadawczePhosphor-converted shortwave infrared phosphor light-emitting diodes (pc-SWIR LEDs, 900–1700 nm) are promising next-generation portable light sources for spectroscopy, security, optical communication, and medical applications. A typical design strategy involves energy transfer from Cr3+ to Ni2+, and thus, energy transfer from Cr3+–Cr3+ pairs to Ni2+...
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Tunable emission and energy transfer of B2O3–Bi2O3–AlF3 glass system doped with Eu3+/Dy3+
PublikacjaThe structure and luminescent properties of the B2O3–Bi2O–AlF3 glass system doped with Eu3+/Dy3+ ions in different molar ratios were studied. A series of glasses were synthesized by the conventional melt quenching technique. Glass transition and crystallization temperatures were examined by Differential Thermal Analysis (DTA) measurements. The amorphous character of the prepared samples was confirmed by the X-ray diffraction (XRD)...
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Probing Local Structural Changes by Sharp Luminescent Infrared Nanophosphor for Application in Light-Emitting Diodes
PublikacjaCr3+-doped infrared phosphors are promising candidates for next-generation phosphor-converted infrared light-emitting diodes (LEDs) because they can, in principle, tune and convert the luminescence spectra from an LED chip. However, most studies focus on broad-band Cr3+-doped phosphors, and the control mechanism of Cr3+-doped phosphors with sharp line emissions remains ambiguous. Here, we report LiGa5(1–x)Al5xO8:Cr3+ phosphors...
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Optoelectronic properties of curved carbon systems
PublikacjaSystematic investigation of optoelectronic properties of curved carbon systems has been performed and the results have been compared with the representatives of flat carbon systems. Moreover, the application of third order dispersion corrected density functional tight binding method (with third order corrections of self-consistent charges) including Becke-Johnson dumping (DFTB3-D3(BJ)) has been validated in order to obtain reliable...
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Anion–water interactions of weakly hydrated anions: molecular dynamics simulations of aqueous NaBF4 and NaPF6
PublikacjaIn aqueous ionic solutions, both the structure and the dynamics of water are altered dramatically with respect to the pure solvent. The emergence of novel experimental techniques makes these changes accessible to detailed investigations. At the same time, computational studies deliver unique possibilities for the interpretation of the experimental data at the molecular level. Here, using molecular dynamics simulations, we demonstrate...
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Technological aspects of manufacturing polymer packaging materials degradable in seawater environment
PublikacjaIn recent years, the number of polymer materials used in the food packaging market was growing extremely fast. This contributed to depletion of non-renewable resources and more intense degradation of the environment due to resistant polymer. Therefore, such a dramatic situation has forced researchers to look for biodegradable materials, decomposable under action of microorganism. Currently, only a small number of researches examine...
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Entropic Measures of Complexity of Short-Term Dynamics of Nocturnal Heartbeats in an Aging Population
PublikacjaTwo entropy-based approaches are investigated to study patterns describing differences in time intervals between consecutive heartbeats. The first method explores matrices arising from networks of transitions constructed following events represented by a time series. The second method considers distributions of ordinal patterns of length three, whereby patterns with repeated values are counted as different patterns. Both methods provide...
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Geminate-pair dissociation yield in systems with exponential energetic disorder — A Monte Carlo study
PublikacjaGeminate electron–hole recombination in systems with exponential energetic disorder is studied by Monte Carlo method. The field and temperature dependencies of geminate-pair dissociation probability are calculated. It is established that the dissociation yield of carrier pairs depends mainly on the extent of carrier thermalization, which influences the Einstein relationship. The approximate limiting temperature is given by Te =...
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Molecular hydrogen solvated in water – A computational study
PublikacjaThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...
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Dual role of oxygen-related defects in the luminescence kinetics of AlNMn2+
Dane BadawczeThis dataset presents the impact of temperature and pressure on AlN:Mn2+ luminescence kinetics. Unusual behavior of Mn2+ optical properties during UV excitation is observed, where a strong afterglow luminescence of Mn2+ occurs even at low temperatures. When the temperature increases, the contribution of the afterglow luminescence is further enhanced,...
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Heave Plates with Holes for Floating Offshore Wind Turbines
PublikacjaThe paper presents an innovative solution which is heave plates with holes. The long-known heave plates are designed to damp the heave motion of platforms. They are most often used for Spar platforms. The growing interest in this type of platform as supporting structures for offshore wind turbines makes it necessary to look for new solutions. Based on the available literature and the authors’ own research, it was concluded that...
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Bandwidth Dependence of the Propagation Channel in Circular Metallic BAN Environments
PublikacjaIn this paper, the bandwidth dependence of the propagation channel for Body Area Networks (BANs) in circular metallic environments is addressed and models are proposed to evaluate the appropriate short-term fading margins that should be considered as a function of the system bandwidth. The deployment of BANs in metallic indoor environments, such as ships, factories, warehouses and other similar environments, involves additional...
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Material Parameters Identification of Historic Lighthouse Based on Operational Modal Analysis
PublikacjaIn the present paper, the identification of the material parameters of a masonry lighthouse is discussed. A fully non-invasive method was selected, in which the material properties were determined via numerical model validation applied to the first pair of natural frequencies and their related mode shapes, determined experimentally. The exact structural model was built by means of the finite element method. To obtain experimental...
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Triplet Formation and Triplet‐Triplet Annihilation Upconversion in Iodine Substituted Non‐Orthogonal BODIPY‐Perylene Dyads
PublikacjaBODIPY-perylene dyads have emerged as useful metal free sensitizers for triplet-triplet annihilation upconversion (TTAUC), these dyads are capable of efficient triplet generation via spinorbit charge transfer intersystem crossing (SOCT-ISC). This important route to triplet formation requires dyads in which two moieties are oriented perpendicular to each other. In this contribution, we give a deeper insight on the behavior of recently...
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Incorporation of the complete ammonia oxidation (comammox) process for modeling nitrification in suspended growth wastewater treatment systems
PublikacjaThe newly discovered process complete ammonia oxidation (comammox) has changed the traditional under-standing of nitrification. In this study, three possible concepts of comammox were developed and incorporated as part of an extended two-step nitrification model. For model calibration and validation, two series of long-term biomass washout experiments were carried out at 12 ◦C and 20 ◦C in a laboratory sequencing batch reactor....
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Up-conversion white emission and other luminescence properties of a YAG:Yb2O3·Tm2O3·Ho2O3@SiO2 glass-nanocomposite
PublikacjaWe report on a glass-nanocomposite material consisting of yttrium aluminum garnet (Y3Al5O12, YAG) nanocrystals co-doped with Yb3+, Tm3+ and Ho3+ ions as well as entrapped into a SiO2 xerogel. This 94YAG·5Yb2O3·0.8Tm2O3·0.2Ho2O3@SiO2 (abbr. YAG:YbTmHo@SiO2) nanocomposite material has been prepared by sol–gel procedure. Its structure and morphology has been characterized by means of X-ray diffraction (XRD) and scanning electron microscope...
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The luminescence study of LiGa5(1−x)O8:5xCr3+ coumpounds
Dane BadawczeInfrared luminescent materials have evoked much attention from chemists and material scientists. Although substantial progress is made in materials design, the luminescent mechanism remains ambiguous in the complex structures, presenting major barriers to developing novel infrared luminescent materials. Herein, this study aims to deliberate a complete...
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Enhanced photocatalytic activity of accordion-like layered Ti3C2 (MXene) coupled with Fe-modified decahedral anatase particles exposing {1 0 1} and {0 0 1} facets
PublikacjaNew composites consisting of decahedral anatase particles exposing {001} and {101} facets coupled with accordion-like layered Ti3C2 with boosted photocatalytic activity towards phenol and carbamazepine degradation were investigated. The photocatalysts were characterized with X-ray diffraction (XRD), diffuse reflectance spectroscopy (DR/UV–Vis), Brunauer-Emmett-Teller (BET) specific surface area, Raman spectroscopy, scanning electron...
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Modeling organic nitrogen conversions in activated sludge bioreactors
PublikacjaFor biological nutrient removal (BNR) systems designed to maximize nitrogen removal, the effluent total nitrogen (TN) concentration may range from 2.0 to 4.0 g N/m3 with about 25-50% in the form of organic nitrogen (ON). In this study, current approaches to modeling organic N conversions (separate processes vs. constant contents of organic fractions) were compared. A new conceptual model of ON conversions was developed and combined...
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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublikacjaWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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The effect of impacted third molars on second molar external root resorption, a cross-sectional cone beam computed tomography study
PublikacjaBackground: Third molars have the highest prevalence of impaction in teeth and can cause pathological damage on the adjacent second molars. This study aims to evaluate the effects of factors related to impacted third molars on external root resorption (ERR) in adjacent second molars using cone-beam computed tomography (CBCT). Material and Methods: In CBCTs, the effect of impacted third molars on the root surface of adjacent second...
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Dendron to Central Core S1–S1 and S2–Sn (n>1) Energy Transfers in Artificial Special Pairs Containing Dendrimers with Limited Numbers of Conformations
PublikacjaTwo dendrimers consisting of a cofacial free-base bisporphyrin held by a biphenylene spacer and functionalized with 4-benzeneoxomethane (5-(4-benzene)tri-10,15,20-(4-n-octylbenzene)zinc(II)porphyrin) using either five or six of the six available meso-positions, have been synthesized and characterized as models for the antenna effect in Photosystems I and II. The presence of the short linkers, -CH2O-, and long C8H17 soluble side...
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Electrode-based floating treatment wetlands: Insights into design operation factors influencing bioenergy generation and treatment performance
PublikacjaExponential increases in energy consumption and wastewater have often irreversible environmental impacts. As a result, bio-electrochemical devices like microbial fuel cells (MFCs), which convert chemical energy in organic matter to electricity using exoelectrogenic bacteria, have gained interest. However, operational factors affecting efficiency and energy output need further study. This research investigated bioenergy production...
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Chemiluminogenic acridinium salts: A comparison study. Detection of intermediate entities appearing upon light generation
PublikacjaThe nine derivatives of acridine-9-carboxylic acid (CMADs) capable for chemiluminescence (CL), representing various classes of compounds were isolated in a chemically pure state (assessed by RP-HPLC) and identified using high resolution mass spectrometry (ESI-QTOF) and magnetic resonance (1H NMR) techniques. Among them are aryl acridinium esters, containing certainly selected and located substituents in both aromatic systems, an...
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Photosensitization of TiO2 and SnO2 by Artificial Self-Assembling Mimics of the Natural Chlorosomal Bacteriochlorophylls
PublikacjaOf all known photosynthetic organisms, the green sulfur bacteria are able to survive under the lowest illumination conditions due to highly efficient photon management and exciton transport enabled by their special organelles, the chlorosomes, which consist mainly of self-assembled bacteriochlorophyll c, d, or e molecules. A challenging task is to mimic the principle of self-assembling chromophores in artificial light-harvesting...
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Evaluation of Response Amplitude Operator of Ship Roll Motions Based on the Experiments in White Noise Waves
PublikacjaEvaluation of the response amplitude operator (RAO) function for ship wave frequency motions by means of scale model tests in regular waves is a standard procedure conducted by hydrodynamic model testing institutions. The resulting RAO function allows for evaluating sufficiently reliable seakeeping predictions for low to moderate sea states. However, for standard hull forms, correct prediction of roll motion in irregular wave (and...
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Heterojunction of (P, S) co-doped g-C3N4 and 2D TiO2 for improved carbamazepine and acetaminophen photocatalytic degradation
PublikacjaNovel photocatalysts of phosphorus and sulfur co-doped graphitic carbon nitride incorporated in 2D TiO2 structure were successfully fabricated and applied for solar-driven degradation of emerging pollutants from the group of pharmaceuticals not susceptible to biodegradation. The hybrid photocatalysts with different loadings of (P, S)-doped g-C3N4 were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR),...
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The cement-bone bond is weaker than cement-cement bond in cement-in-cement revision arthroplasty. A comparative biomechanical study
PublikacjaThis study compares the strength of the native bone-cement bond and the old-new cement bond under cyclic loading, using third generation cementing technique, rasping and contamination of the surface of the old cement with biological tissue. The possible advantages of additional drilling of the cement surface is also taken into account. Femoral heads from 21 patients who underwent a total hip arthroplasty performed for hip arthritis...