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Search results for: absorption capacity
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Designing efficient A-D-A1-D-A type fullerene free acceptor molecules with enhanced power conversion efficiency for solar cell applications
PublicationThe achievement of highly efficient power conversion efficiency (PCE) is a big concern for non-fullerene organic solar cells (NF-OSCs) because PCE can depend on numerous variables. Here, new five novel acceptor molecules without fullerenes were developed and investigated using DFT (density functional theory) and TD-DFT (time dependent-density functional theory). Compared to the recently synthesized molecule (PZ-dIDTC6), the developed...
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Fast-response optoelectronic detection of explosives’ residues from the nitroaromatic compounds detonation: field studies approach
PublicationWe are presenting an application of optoelectronic nitrogen dioxide (NO2) analyzer based on cavity enhanced absorption spectroscopy in the detection of traces of explosives after detonation. It has been shown that the analyzer using blue-violet laser is able to detect explosive residues after the detonation of various amounts of nitroaromatic compounds (75g-1kg) with higher efficiency than the HPLC soil sample testing equipment,...
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Laser induced formation of copper species over TiO2 nanotubes towards enhanced water splitting performance
PublicationWe proposed fast and scalable route where the ordered TiO2 nanotubes coated with thin copper layers were annealed by the laser beam of 355 nm wavelength at different fluencies in the range of 15–120 mJ/cm2. As a result, copper species are integrated with the titania substrate and the formed material exhibits unique optical absorption bands in the visible range. Moreover, X-ray photoelectron spectroscopy analysis reveals the formation...
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Polydopamine Biomaterials for Skin Regeneration
PublicationDesigning biomaterials capable of biomimicking wound healing and skin regeneration has been receiving increasing attention recently. Some biopolymers behave similarly to the extracellular matrix (ECM), supporting biointerfacial adhesion and intrinsic cellular interactions. Polydopamine (PDA) is a natural bioadhesive and bioactive polymer that endows high chemical versatility, making it an exciting candidate for a wide range of...
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Solid-contact lead(II) ion-selective electrodes for potentiometric determination of lead(II) in presence of high concentrations of Na(I), Cu(II), Cd(II), Zn(II), Ca(II) and Mg(II)
PublicationLead and its compounds are a serious threat to the environment. Monitoring of this toxic heavy metal is a driving force for the continuous development of novel lead(II) ionophores to be applied in ion-selective electrodes. In this work a highly selective lead(II) ionophore, namely 25,26,27,28-tetrakis(piperidinylthiocarbonylmethylene)-p-tert-butylcalix[4]arene, was used in solid-contact ion-selective electrodes for determination...
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Highly porous nanoberyllium for X-ray beam speckle suppression
PublicationThe speckle suppressor device containing highly porous nanoberyllium is proposed for manipulating with the spatial coherence length and removing undesirable speckle structure during the imaging experiments. We report a special device called the speckle suppressor, which contains the highly porous nanoberyllium plate, compacted from both sides by two beryllium windows. By insertion the speckle suppressor in the X-ray beam it allows...
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Nano-structured Pt embedded in acidic salts of heteropolymolybdate matrices: MS EXAFS study
PublicationA structural study of Pt nano-catalysts is presented in the paper. The innovation in the case of the considered catalytic materials resides in the use a meso-microporous inorganic matrix of heteropolyacid salt of composition X2.5H0.5YMo12O40 where X = Rb, Cs and Y = P, Si as a catalyst support. Metallic nanoparticles were created by platinum ions reduction in a hot H2/Argon stream and were mainly located into matrix pores. As the...
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Progress in development of molecularly imprinted polymers as sorbents for sample preparation
PublicationSample preparation has been one of the most often investigated steps in analytical procedures.These investigations are focused on problems such as isolation of analytes from the sample matrix, matrix implification, analyte enrichment to the level above the detection limit of the instrumentation used, and the removal of interfering species to improve the final determination. Techniques based on solid (adsorption) and pseudo liquid...
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The use of Kamienna głowa cabbage species for phytoextraction of zinc and cadmium from the soil
PublicationAlthough traditional technologies for cleaning contaminated soils have proven to be efficient, they are usually expensive, labor intensive, and in the case of soil, they produce severe disturbance. Most recently, the use of plants in metal extraction (phytoremediation) has appeared as a promising alternative in the removal of heavy metal excess from soil. Phytoremediation uses of plant for pollutant stabilization, extraction, degradation,...
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Determination of total mercury in raw petrol using cold vapour atomic absorption spectrometry
PublicationPresence of different forms of mercury in petroleum based products may impair the proper operation of the equipment or led to poisoning of automotive catalysts. However much more important problem is environmental pollution with mercury emitted from different types of fossil fuels. Although the average mercury concentration in petroleum based products (automotive fuels) is on the level around 1 ppb, taking into account annual...
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Aggregation of imidazoacridinones - spectroscopic and microcalorimetric approach
PublicationImidazoacridinones (IA) belong to a group of polycyclic heteroaromatic antitumor compounds. IA create the aggregated form in water solution. Self-association of substances is a very important phenomenon in many fields of applied chemistry. It is also fundamental model reaction of many kinds of molecular interactions such as the micelle formation of amphiphilic substances and the binding of small organic molecules to macromolecules....
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Phytoremediation of heavy metals by white cabbage
PublicationPhytoremediation is regarded as the cheapest and environmentally most friendly technology for cleaning up soil. The most widespread and most profitable technique is phytoextraction, used mainly for removing heavy metals and radioactive elements from thesoil. Over 400 plant species have been identified as natural metal hyperaccumulators representing about 0.2 % of all angiosperms. Unfortunately, most of these plants are characterised...
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Photovoltaic effect in the single-junction DBP/PTCBI organic system under low intensity of monochromatic light
PublicationPhotoelectric properties of the planar ITO/MoO3/DBP/PTCBI/BCP/Ag system were characterized on the basis of short-circuit current, open-circuit voltage and absorption spectra, and current-voltage measurements in the dark and under monochromatic illumination of low intensity. Photovoltaic performance of the system was compared with the performance of ideal semiconductor and excitonic cells of chosen bandgaps. Such analysis shows,...
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3D Hierarchical Boron-Doped Diamond-Multilayered Graphene Nanowalls as an Efficient Supercapacitor Electrode
PublicationSynthesis of stable hybrid carbon nanostructure for high-performance supercapacitor electrode with long life-cycle for electronic and energy storage devices is a real challenge. Here, we present a one-step synthesis method to produce conductive boron-doped hybrid carbon nanowalls (HCNWs), where sp2-bonded graphene has been integrated with and over a three-dimensional curved wall-like network of sp3-bonded diamond. The spectroscopic...
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublicationThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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Optical and photoelectrochemical characterization of pulsed laser deposited Bi4V2O11, BICUVOX, and BIZNVOX
PublicationThin layers of three compounds from the BIMEVOX family (Bi4V2O11, Bi2V0.9Cu0.1O5.35, and Bi2V0.9Zn0.1O5.35) were prepared via pulsed laser deposition technique on quartz, silicon, and platinum foil and tested as photoanodes for water photooxidation. The film formation, as well as the crystallization upon heating, was characterized using X-ray diffraction and Raman spectroscopy. The optical properties were investigated using spectroscopic...
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The Chemical and Biological Properties of Nanohydroxyapatite Coatings with Antibacterial Nanometals, Obtained in the Electrophoretic Process on the Ti13Zr13Nb Alloy
PublicationThe risk of an early inflammation after implantation surgery of titanium implants has caused the development of different antimicrobial measures. The present research is aimed at characterizing the effects of nanosilver and nanocopper dispersed in the nanohydroxyapatite coatings, deposited on the Ti13Zr13Nb alloy, and on the chemical and biological properties of the coatings.The one-stage deposition process was performed by the...
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Quantitative fluorescent determination of DNA – Ochratoxin a interactions supported by nitrogen-vacancy rich nanodiamonds
PublicationOchratoxin A (OTA) is a hazardous contaminant of a large variety of plant and animal originated food. Herein, we report an interaction of OTA with calf thymus DNA (ct DNA) on the nanodiamond surface. We employed multispectroscopic techniques to elucidate the binding mechanism of OTA with ct DNA. The fluorescence and UV–Vis spectroscopy results show that OTA binds to ds ct DNA and forms complexes. We obtained the binding constants...
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A facile method for Tauc exponent and corresponding electronic transitions determination in semiconductors directly from UV–Vis spectroscopy data
PublicationIn this work, a facile method allowing for estimation of the exponent in the Tauc equation directly from the UV–vis spectra is presented. It is based on the Taylor expansion of the logarithmic version of the Tauc equation. The Tauc exponent is calculated from the tangent slope of the absorption data. Knowledge of this coefficient provides information about the optical transition types and is used as an input for the calculations...
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Effect of Different Bromine Sources on the Dual Cation Mixed Halide Perovskite Solar Cells
PublicationRecent research has shown that perovskite solar cells with a mixed dual A-cation have much better structural stability without loss of efficiency than single cation devices. Mixed cation perovskites create a lot of questions about the salts being used for the formation of the best-quality layer. Here, we have investigated three sources of bromide in the perovskite absorption layer, using lead bromide (PbBr2), formamidinium bromide...
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The influence of the size of a one-faced metallic head in Janus nanoparticles as a co-catalyst on the photocatalytic efficiency of hydrogen evolution under vis light irradiation
PublicationJanus nanoparticles (NPs) consisting of MoOxSy nanospheres and silver (Ag) head, successfully developed by a simple, controlled method were in the first time they were applied as a co-catalysts in photocatalytic hydrogen generation reaction under vis light irradiation (λ > 420 nm). The MoOxSy-Ag as a co-catalysts were deposited on the obtained ZnIn2S4 microspheres (ZIS) using physical absorption method. The influence of the size...
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Tuning of the plasmon resonance location in Au nanostructures coated with a ultrathin film of Al2O3 – Optical measurements and FDTD simulations
PublicationThe Au nanostructures have been coated with an ultra-thin films of amorphous aluminium oxide. Optical absorption spectra show the influence of the thickness of Al2O3 on plasmon resonance wavelength. The observed red-shift of the resonance location with the increase of the thickness of the Al2O3 film, can be explained by the change in the dielectric function of this film. It allows control of the optical spectra of the coated particles....
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Local Structure and Stability of SEI in Graphite and ZFO Electrodes Probed by As K-edge Absorption Spectroscopy
PublicationThe evolution of the solid electrolyte interphase (SEI) during the first Li uptake in advanced Li-ion electrodes is studied by X-ray absorption spectroscopy (XAS). The As atoms present in the electrolyte solution were used as a local probe for monitoring the SEI growth on different electrodes. High-quality As K-edge spectra were collected in fluorescence mode for a set of graphite and carbon-coated ZnFe2O4 electrodes. XAS measurements...
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The Analysis of Vodka: A Review Paper
PublicationVodka is the most popular alcoholic beverage in Poland, Russia and other Eastern European countries, made from ethyl alcohol of agricultural origin that has been produced via fermentation of potatoes, grains or other agricultural products. Despite distillation and multiple filtering, it is not possible to produce 100 % ethanol. The solution with a minimum ethanol content of 96 %, which is used to produce vodkas, also contains trace amounts...
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Plasma-Based Deposition and Processing Techniques for Optical Fiber Sensing
PublicationPlasma-based techniques are widely applied for well-controlled deposition, etching or surface functionalization of a number of materials. It is difficult to imagine fabrication of novel microelectronic and optoelectronic devices without using plasma-enhanced deposition of thin films, their selective etching or functionalization of their surfaces for subsequent selective binding of chemical or biological molecules. Depending on...
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Impact Behaviour of Glass Fribre /Epoxy Composites with Nano-Enhanced Resin after Water Exposure
PublicationImpact behaviour of glass fibre /epoxy composites with nano- SiO2 modified resin was studied in terms of low velocity impact after water exposure. Nanocomposites with 1%, 2%, 3% 5% 7% nano-SiO2 (Nanopox- Evonic) were investigated. Peak impact load and impact damage area as a function of nanoparticle contents were compared for dry specimens and for samples exposed to water (0.7 %wt. 1.7% water absorbed) at 1J, 2J 3J impact energies....
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Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublicationTime-dependent density functional theory calcula- tions combinedwith the Marcus theory of electron transfer (ET) were app lied on the molecular photocatalys t [(tbbpy) 2 Ru(tpph z)PdC l 2 ] 2 + in order to elucidate thelight-in- duced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational resultsshow that after the initial excitation, metal (Ru) to ligand (tpphz)chargetransfer...
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Investigation of vortex assisted magnetic deep eutectic solvent based dispersive liquid–liquid microextraction for separation and determination of vanadium from water and food matrices: Multivariate analysis
PublicationA new and simple vortex assisted magnetic deep eutectic solvent dispersive liquid–liquid microextraction procedure (VA-MDES-DLLME) was developed for the determination of vanadium (V) in food and water samples by flame atomic absorption spectrometry (FAAS). In the extraction medium, a bis(acetylpivalylmethane) ethylenediimine (H2APM2en) was used for the complexation of V(V) in sample solution at pH 6. The VA-MDES-DLLME was optimized...
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Time Delay Estimation in Two-Phase Flow Investigation Using the γ-Ray Attenuation Technique.
PublicationTime delay estimation is an important research question having many applications in a range of technologies. Measurement of a two-phase flow in a pipeline or an open channel using radioisotopes is an example of such application. For instance, the determination of velocity of dispersed phase in that case is based on estimation of the time delay between two stochastic signals provided by scintillation probes. The proper analysis...
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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublicationThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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Mono- and bi-metallic plasmonic photocatalysts for degradation of organic compounds under UV and visible light irradiation
PublicationTitania powders were surface modified with gold and/or silver nanoparticles (NPs) by photodeposition method. Gold modified titania exhibited much higher photocatalytic activity during methanol dehydrogenation under UV irradiation than titania modified with monometallic silver and bimetallic Au–Ag NPs. Bimetallic photocatalysts exhibited either enhanced or reduced visible light activity, depending on properties of noble metal NPs,...
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Potential of novel atomic emission techniques as a tool for investigation of the possibilities of using industrial waste as additives in construction materials
PublicationNowadays, due to the global ecological crisis and ways to prevent a climate disaster, more and more attention is paid to green techno-logies and green Chemistry, which are part of the so-called “The Green Deal.” The main assumption is the optimization of the processes of producing necessary goods and the implementation of methods of managing postproduction waste in the least environmentally harmful manner. In the presented research,...
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Precipitation and Transformation of Vaterite Calcium Carbonate in the Presence of Some Organic Solvents
PublicationIn this paper, the production of CaCO3 particles via the carbonation route in the reaction of CaCl2 and CO2, using NH3 as a promoter of CO2 absorption, was studied. The solvents used as the reaction media for CaCO3 precipitation were aqueous solutions of methanol, isopropanol and dimethyl sulfoxide (DMSO), in a concentration range of 0–20% (v/v). It was found that the presence of an organic additive influenced the precipitation...
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Soft X-ray Induced Production of Neutral Fragments in High-Rydberg States at the O 1s Ionization Threshold of the Water Molecule
PublicationDissociation of water molecules after soft X-ray absorption can yield neutral fragments in high-Rydberg (HR) states. We have studied the production of such fragments by field ionization and ion time-of-flight (TOF) spectrometry. Neutral HR fragments are created at all resonances below the O 1s ionization potential (IP) and particularly within 1 eV above the O 1s IP. The latter effect is due to the recapture of the O 1s photoelectrons...
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The electrical, morphological and optical properties of heavily boron-doped diamond sheets as a function of methane concentration in the gas phase
PublicationBoron-doped diamonds (BDD) are known for their excellent properties such as high thermal conductivity, high mobility, low absorption in visible light, and biocompatibility. In this work, we investigated the electrical, morphological and optical properties of heavily boron-doped diamond thin sheets as a function of methane concentration in the gas phase. Free-standing diamond sheets were fabricated using a microwave plasma-assisted...
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Effects of Bromine Doping on the Structural Properties and Band Gap of CH3NH3Pb(I1–xBrx)3 Perovskite
PublicationAn experimental and theoretical study is reported to investigate the influence of bromine doping on CH3NH3Pb(I1−xBrx)3 perovskite for Br compositions ranging from x = 0 to x = 0.1, in which the material remains in the tetragonal phase. The experimental band gap is deduced from UV−vis absorption spectroscopy and displays a linear behavior as a function of bromine concentration. Density functional theory calculations are performed...
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A Proposed Machine Learning Model for Forecasting Impact of Traffic-Induced Vibrations on Buildings
PublicationTraffic-induced vibrations may cause various damages to buildings located near the road, including cracking of plaster, cracks in load-bearing elements or even collapse of the whole structure. Measurements of vibrations of real buildings are costly and laborious. Therefore the aim of the research is to propose the original numerical algorithm which allows us to predict, with high probability, the nega-tive dynamic impact of traffic-induced...
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Development and validation of an eco-compatible UV–Vis spectrophotometric method for the determination of Cu2+ in aqueous matrices
PublicationCu 2+ are ubiquitous ions in the ecosystem and are responsible of serious environmental pollution. Indeed, the development of sensitive methods for Cu 2+ detection is an urgent demand. In this work, we proposed a new spectrophotometric method for Cu 2+ determination in different water matrices (distilled water, drinking water, wastewater, and river water). The method employs a bio-based organic ligand namely tetrasodium iminodisuccinate...
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Deposition and characterization of organic polymer thin films using a dielectric barrier discharge with different C2Hm/N2 (m = 2, 4, 6) gas mixtures
PublicationOrganic polymer thin films have been deposited on Si(100) and aluminum coated glass substrates by a dielectric barrier discharge (DBD) operated at medium pressure using different C2Hm/N2 (m = 2, 4, 6) gas mixtures. The deposited films were characterized by various spectroscopic techniques. Fourier transform infrared reflection absorption spectroscopy (FT-IRRAS) revealed the chemical functional groups present in the films. The surface...
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The potential of imogolite nanotubes as (co-)photocatalysts: a linear-scaling density functional theory study
PublicationWe report a linear-scaling density functional theory (DFT) study of the structure, wall-polarization absolute band-alignment and optical absorption of several, recently synthesized, open-ended imogolite (Imo) nanotubes (NTs), namely single-walled (SW) aluminosilicate (AlSi), SW aluminogermanate (AlGe), SW methylated aluminosilicate (AlSi-Me), and double-walled (DW) AlGe NTs. Simulations with three different semi-local and dispersion-corrected...
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Modification of Titanium (IV) Dioxide with Small Silver Nanoparticles: Application in Photocatalysis
PublicationThe surface of commercial TiO2 compounds (P25 and ST01) has been modified with Ag nanoparticles induced by radiolysis. On P25, the Ag nanoclusters are very small (1−2 nm) and homogeneous in size while on ST01, two populations of nanoparticles are obtained, small nanoparticles (1−2 nm) and larger ones (mean diameter 7 to 12 nm depending on the silver loading). The photocatalytic properties of Ag-modified TiO2 have been studied for...
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Enhanced photocatalytic properties of lanthanide-TiO2 nanotubes: An experimental and theoretical study
PublicationA series of Er-, Yb-, Ho-, Tb-, Gd-, Pr-TiO2 nanotubes (RE-NTs) was prepared via an electrochemical method. The as-prepared photocatalysts were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), UV–vis absorption, scanning electron microscopy (SEM) and luminescent spectroscopy. The experiments demonstrated that toluene in the gas phase was successfully degraded under visible light (LEDs λmax = 465...
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O 1s excitation and ionization processes in the CO2 molecule studied via detection of low-energy fluorescence emission
PublicationOxygen 1s excitation and ionization processes in the CO2 molecule have been studied with dispersed and non-dispersed fluorescence spectroscopy as well as with the vacuum ultraviolet (VUV) photon-photoion coincidence technique. The intensity of the neutral O emission line at 845 nm shows particular sensitivity to core-to-Rydberg excitations and core-valence double excitations, while shape resonances are suppressed. In contrast,...
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Spectroscopic and photophysical properties of ZNTPP in a room temperature ionic liquid
PublicationThe steady-state absorption and emission spectra and the time-resolved Soret- and Q-band excited fluorescence profiles of the model metalloporphyrin, ZnTPP, have been measured in a highly purified sample of the common room temperature ionic liquid, [bmim][PF(6)]. S(2)-S(0) emission resulting from Soret-band excitation behaves in a manner completely consistent with that of molecular solvents of the same polarizability. The ionic...
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Photoelectrochemically Active N‐Adsorbing Ultrathin TiO2 Layers for Water‐Splitting Applications Prepared by Pyrolysis of Oleic Acid on Iron Oxide Nanoparticle Surfaces under Nitrogen Environment
PublicationHighly performing photocatalytic surfaces are nowadays highly desirable in energy fields, mainly due to their applicability as photo water‐splitting electrodes. One of the current challenges in this field is the production of highly controllable and efficient photoactive surfaces on many substrates. Atomic layer deposition has allowed the deposition of photoactive TiO2 layers over wide range of materials and surfaces. However,...
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Novel fused pyran derivatives induce apoptosis and target cell cycle progression in anticancer efficacy against multiple cell lines.
PublicationNitrogen-based heterocycles such as pyrazole, imidazole, 1,2,4-triazole, benzimidazole, and benzotriazole substituted fused pyran derivatives (6a–e, 8a–e, 10a–e, 12a–e,&14a–e) have been synthesized and tested for their in vitro anticancer efficacies against MCF7, A549, and HCT116 cancer cell lines. Among the compounds, 6e, 14b, and 8c were identified as the most potent against MCF7, A549, and HCT116, with IC50 values of 12.46 2.72...
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The lanthanide influence on selected properties of BaLnCo2O6-δ
PublicationThe subject of research of this dissertation are cobalt oxides with a double perovskite structure with a general formula BaLnCo2O6-δ, where Ln stands for La, Pr, Nd, Sm, Gd, Tb, Dy. The aim of the study was to verify the ability of these materials to form the protonic defects, as well as to identify the factors determining this ability. As part of the work, materials from the proposed group were synthesised and characterized. To...
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BASECOL2023 scientific content
PublicationContext. The global context of making numerous data produced by researchers available requires collecting and organising the data, assigning meaningful metadata, and presenting the data in a meaningful and homogeneous way. The BASECOL database, which collects inelastic rate coefficients for application to the interstellar medium and to circumstellar and cometary atmospheres, meets those requirements. Aims. We aim to present the...
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Monte-Carlo Modeling of Optical Sensors for Postoperative Free Flap Monitoring
PublicationThis work aims to develop a numerical tissue model and implement software to simulate photon propagation using the Monte Carlo method to determine design guidelines for a physical measurement system. C++ was used for the simulation program, and Python as a programming environment to create an interface that allows the user to customize individual simulation elements, allowing for increased accuracy and flexibility when simulating...
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Au-RE-TiO2 nanocomposites: Surface characteristics and photoactivity
PublicationThe photocatalysts based on TiO2 co-doped with rare earth metal (RE) and gold nanoparticles have been prepared using a sol-gel method and followed by gold reduction. Specific surface areas of the modified photocatalysts were calculated by the Brunauer-Emmett-Teller method (BET). Diffuse reflectance spectra of the obtained photocatalysts were recorded in a UV-Vis spectrophotometer (DRS UV-Vis). The influence of the type of rare...