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ANYTIME POLYNOMIAL HEURISTIC ALGORITHM FOR PARTITIONING GROUPS OF DATA WITH PRESERVING CLASS PROPORTIONS FOR CROSS-VALIDATION
PublikacjaThe article describes a problem of splitting data for k-fold cross-validation, where class proportions must be preserved, with additional constraint that data is divided into groups that cannot be split into different cross-validation sets. This problem often occurs in e.g. medical data processing, where data samples from one patient must be included in the same cross-validation set. As this problem is NP-complete, a heuristic...
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Paweł Możejko dr hab.
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Albumin–Hyaluronan Interactions: Influence of Ionic Composition Probed by Molecular Dynamics
PublikacjaThe lubrication mechanism in synovial fluid and joints is not yet fully understood. Nevertheless, intermolecular interactions between various neutral and ionic species including large macromolecular systems and simple inorganic ions are the key to understanding the excellent lubrication performance. An important tool for characterizing the intermolecular forces and their structural consequences is molecular dynamics. Albumin...
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Use of pyridinium and pyrrolidinium ionic liquids for removal of toluene from gas streams
PublikacjaSeparation of toluene from a toluene/N2 gas mixture using supported liquid membranes based on a series of pyridinium (1-butylpyridinium- bis(trifluoromethylsulfonyl)imide - [C4Py][Tf2N], 1-hexylpyridinium trifluoromethanesulfone [C6Py][Tf2N]) and pyrrolidinium (1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide - [C4Pyrr][Tf2N], 1-hexyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide - [C6Pyrr][Tf2N], 1-butyl-1-methylpyrrolidinium...
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Theoretical calculation of the physico-chemical properties of 1-butyl-4-methylpyridinium based ionic liquids
PublikacjaACCEPTED MAIonic liquids (ILs) have attracted much attention for their unique physicochemical properties, which can be designed as needed by altering the ion combinations. Besides experimental work, numerous computational studies have been concerned with prediction of physical properties of ILs. The results of molecular dynamics simulations of ILs depend strongly on the proper force field parameterization. Classical force fields...
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Role of Fungi in Biodegradation of Imidazolium Ionic Liquids by Activated Sewage Sludge
PublikacjaIonic liquids (ILs), due to their specific properties, can play the role of persistent water contaminants. Fungi manifest the ability to decompose hardy degradable compounds, showing potential in the biodegradation of ILs, which has been studied extensively on sewage sludge; however, attention was drawn mainly to bacterial and not fungal species. The aim of the research was to determine the significance of fungi in ILs’ biodegradation...
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Determination of ionic conductivity in the Bi-Si-O and Pb-Si-O glasses
PublikacjaImpedance spectroscopy measurements in various gas atmospheres were carried out in order to explain the doubts about the type of carriers and the mechanism of electrical conductivity in Bi-Si-O and Pb-Si-O glasses. In bismuth silicate glass, a typical ionic conductivity with oxygen ions as charge carriers was observed. The level of electrical conductivity of the glass at 400 °C was 5 × 10−8 S·cm−1 , with the activation energy of...
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Cross-sectional imaging of materials structure using PS-OCT
PublikacjaOptical low-coherence tomography is a measurement technique for non-contact and non-destructive investigation of materials inner structure. Nowadays, this method is highly applied in medical treatment especially in dermatology and ophthalmology. During our research we have developed an optical low-coherence tomography system with polarization state analysis for structure examination of a broad range of technical materials. In this...
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STABILITY AND LOAD BEARING CAPACITY OF A BARS WITH BUILT UP CROSS SECTION AND ELASTIC SUPPORTS
PublikacjaThe present paper is devoted to the numerical analysis and experimental tests of compressed bars with built–up cross section which are commonly used as a top chord of the roof trusses. The significant impact on carrying capacity for that kind of elements in case of out-of-plane buckling is appropriate choice of battens which are used to provide interaction between separate members. Linear buckling analysis results and nonlinear static...
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Refined theoretical study of radiative association: Cross sections and rate constants for the formation of SiN
PublikacjaRadiative association of silicon mononitride (SiN) in its two lowest molecular electronic states is studied through quantum and classical dynamics. Special attention is paid to the behavior of the cross section at high collision energies. A modified expression for the semiclassical cross section is presented which excludes transitions to continuum states. This gives improved agreement with quantum mechanical perturbation theory...
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The new silica-based coated SPME fiber as universal support for the confinement of ionic liquid as an extraction medium
PublikacjaThe new silica-based SPME fiber coating is reported for the first time as universal support purposed to confinement of ionic liquid as an extraction medium. Fiber coating was prepared by the sol-gel process, using potassium silicate (K2SiO3) as a precursor and dimethylformamide (DMF) as a pore-forming medium. The concept of synthesis assumes obtaining a solid porous material on the surface of the glass rod and, being characterized...
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Micellar Route of the Synthesis of Alkyl Xylosides: An Unexpected Effect of Amphiphilic Imidazolium Ionic Liquids
PublikacjaThis manuscript presents results from the investigation on the synthesis of alkyl xylosides by the novel, very efficient and promising protocol of the Fischer synthesis from unprotected xylose and aliphatic alcohol. The use of 1-alkyl-3-methylimidazolium hydrogen sulfate ionic liquids as the catalysts with dual functionality (surfactant + acid catalyst) and micellar reaction system are the main novelty of described method. It has...
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The POCOBIO Database for Computed Scattering Cross-Sections for Positron Collisions with Biomolecular Systems
PublikacjaThe design of a database for positron interactions with biomolecular systems is outlined. The database contains only scattering cross sections, which are derived from theory. The data model is defined in a very flexible way, which facilitates the usage of weakly bound clusters of molecules and molecular systems with many tautomeric forms.
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Linking Macro- and Micro-structural Analysis with Luminescence Control in Oxynitride Phosphors for Light-Emitting Diodes
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A Systematic Search for New Coupling Schemes of Cross-Coupled Resonator Bandpass Filters
PublikacjaIn this paper, a systematic approach to an extensive search for topologies of cross-coupled filters with generalized Chebyshev response is presented. The technique applies graph theory to find unique, nonisomorphic filter configurations, and tests whether a specific frequency response can be realized in a given set of topologies. The results of the search are then stored in a database of possible filter configurations.
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Investigations of the Methods of Time Delay Measurement of Stochastic Signals Using Cross-correlation with the Hilbert Transform
PublikacjaThe article presents the results of simulation studies of four methods of estimating time delay for random signals using cross-correlation with the Hilbert Transform. Selected models of mutually delayed stochastic signals were used in the simulations, corresponding to the signals obtained from scintillation detectors in radioisotope measurements of liquid-gas two-phase flow. Standard deviations of the values of the individual functions...
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The Analysis of Cross-Polarisation Discrimination for Body Area Networks in Cylindrical Metallic Environment
PublikacjaThe analysis of cross-polarisation discrimination for Body Area Networks in an untypical environment of cylindrical metallic room has been performed in the paper. This analysis was done based on the measurements carried out for dynamic narrowband off-body channels operating at the frequency of 2.45 GHz. The results have shown that there is a strong dependence of the depolarisation effect on the existence of direct component in...
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Regularized Identification of Time-Varying FIR Systems Based on Generalized Cross-Validation
PublikacjaA new regularization method is proposed and applied to identification of time-varying finite impulse response systems. We show, that by a careful design of the regularization constraint, one can improve estimation results, especially in the presence of strong measurement noise. We also show that the the most appropriate regularization gain can be found by direct optimization of the generalized cross-validation criterion.
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Fate of Ionic Liquids in Soils and Sediments
PublikacjaZrozumienie losu cieczy jonowych w glebach i osadach dennych jest istotnym elementem ich implementacji z zachowaniem idei zrównoważonego rozwoju. Niniejsza publikacja zawiera analizę i podsumowanie danych dotyczących oddziaływań cieczy jonowych w roztworach wodnych oraz agregacji na powierzchniach stałych. Zaobserwowano, że silnie lipofilowe ciecze jonowe zawierające długi łańcuch węglowodorowy lub duży organiczny anion wykazują...
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Predicting the Environmental Fate of Ionic Liquids
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Imidazolium ionic liquids in mineral processing
PublikacjaImidazoliowe ciecze jonowe (ILs) stanowią nową klasę związków o szerokich możliwościach przemysłowego zastosowania. Z przeglądu dostępnej literatury wynika, że ILs mogłyby zostać wykorzystane do odzysku i oczyszczania metali ze środowiska wodnego oraz rud w procesach ługowania, ekstarkcji rozpuszczalnikowej oraz w procesach elektrochemicznych. Pochodne imidazoliowe mogą być wykorzystywane zarówno jako rozpuszczalniki jak i aktywne...
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Multicomponent ionic liquid CMC prediction
PublikacjaWe created a model to predict CMC of ILs based on 704 experimental values published in 43 publications since 2000. Our model was able to predict CMC of variety of ILs in binary or ternary system in a presence of salt or alcohol. The molecular volume of IL (Vm), solvent-accessible surface (Sˆ), solvation enthalpy (DsolvGN), concentration of salt (Cs) or alcohol (Ca) and their molecular volumes (Vms and Vma, respectively) were chosen...
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Ionic liquids-based microextraction techniques
PublikacjaIn recent years, the development of highly efficient analytical techniques is of great importance, however, the direct analysis of complex sample matrix is still impossible in many cases. Therefore, the step of sample preparation is commonly involved in an analytical procedure. Over the years, it has been realized that the major source of inaccuracy and imprecision on general analysis results from the operations associated to sample...
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Ionic conductivity in bismuth silicate glasses.
PublikacjaZbadano właściwości elektryczne szkieł krzemianowo- bizmutowych zawierających 55 mol% tlenku bizmutu. Uzyskane wyniki potwierdzają jonowy charakter przewodnictwa, za które odpowiedzialne są jony tlenu.
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Electronic and ionic relaxations in oxide glasses
PublikacjaDokonano przeglądu procesów relaksacyjnych w szkłach wykazujących elektronowy i elektronowo-jonowy charakter przewodnictwa elektrycznego. Na podstawie badań impedancyjnych przedstawiono klasyfikację szkieł o mieszanym elektronowo-jonowym przewodnictwie. Wskazano na zalety metody tarcia wewnętrznego do badań procesów relaksacyjnych w szkłach tlenkowych.
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Cross-cultural problem of quality
PublikacjaThe paper, by presenting issues such as variability of reality, quality of life, quality and environmental management systems, emphasizes the opportunities of taking the socially important problem under control by utilization of efficient quality engineering analytical methods.
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Cross-country factor momentum
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Morphology, surface properties and photocatalytic activity of the bismuth oxyhalides semiconductors prepared by ionic liquid assisted solvothermal method
PublikacjaThis is the first report of the effect of the ILs cation type (imidazolium, pyridinium and pyrrolidinium) on the morphology, surface properties and photoactivity of BiOX semiconductors type obtained by solvothermal method in glycerol. The various ionic liquids (IL) cation type as a halogen source and templating agent for the synthesis of the bismuth oxyhalides nanoparticles has been systematically investigated. The role of ILs...
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The ILs-assisted solvothermal synthesis of TiO2 spheres: the effect of ionic liquids on morphology and photoactivity of TiO2
PublikacjaEffect of the ionic liquid (IL) structure (chain length in the imidazolium cation) on morphology and photoactivity of TiO2 particles has been systematically investigated. The TiO2 microspheres have been successfully synthesized via facile solvothermal method assisted by ionic liquids, such as 1-butyl-3-methylimidazolium chloride [BMIM][Cl] and 1-decyl-3-methylimidazolium chloride [DMIM][Cl] using tetra-tert-butyl orthotitanate...
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A miniaturized solid-contact potentiometric multisensor platform for determination of ionic profiles in human saliva
PublikacjaThis paper describes a miniaturized multisensor platform (MP-ISES) consisting of electrodes: a reference one (RE) and ion-selective electrodes (ISEs) for monitoring Na+, K+, Ca2+, Mg2+, Cl−, and SCN− ions and pH in human saliva. Gold electrode surface was modified by deposition of two layers: electrosynthesized PEDOT:PSS forming an intermediate layer, and ion-selective membrane. The developed ISEs were characterized by a wide linear...
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Cross-validation for triplets of classical HRV and BPV indices in differentiating OSA patients from healthy controls
Dane BadawczeResults of cross-validation for triplets of classical HRV and BPV indices, as described in the paper “Differentiating patients with obstructive sleep apnea from healthy controls based on heart rate–blood pressure coupling quantified by entropy-based indices” by P. Pilarczyk, G. Graff, J.M. Amigó, K. Tessmer, K. Narkiewicz, and B. Graff.
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SEM images of cross sections of porous Sr0.86Ti0.65Fe0.35O3 oxygen electrodes sintered at different temperatures
Dane BadawczeThis dataset contains cross sectional images of the porous Sr0.86Ti0.65Fe0.35O3 oxygen electrodes symmetric cells samples interface. Here are presented images of electrodes sintered at 950 °C, 1000 °C and 1050 °C. Images were obtained using a FEI Quanta FEG 250 Scanning Electron Microscope (SEM) with an accelerating voltage of 10 kV in a high vacuum...
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Cross-linked epoxy-isocyanate blends containing Epidian-6 modified by glycols
PublikacjaPolymeric films of cross-linked structure may be formed using epoxy-isocyanate blends composed of Epidian-5 epoxy resin, 4,4’-diphenylmethanediisocyanate (MDI), Z-1 polyamine hardener and Epidian-6 epoxy resin modified by glycols. The effect of the component natures and ratio, process temperature and time on the gel-fraction content, as well as film hardness, was examined. The chemistry of the film forming process was determined...
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Electron-impact ionization cross section calculations for 5-chloropyridine and 5-bromopyridine molecules
PublikacjaThe total cross sections for the single electron-impact ionization of 5-chloropyridine (5-C5H4ClN) and 5-bromopyridine (5-C5H4BrN) molecules have been calculated using binary-encounter-Bethe method for electron energies ranging from the ionization threshold up to 5 keV.
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Load carrying capacity of the eccentric joint in the truss made of open cross-sections
PublikacjaThe influence of eccentricity at intersections of truss members on the load carrying capacity of the truss joint is presented in the paper. The research truss elements were designed as cold-formed open cross section. Analytical calculations, numerical analysis and experimental research were conducted to reveal how the eccentricity affects the effort of material in the joint area. The results of analysis and investigations are compared...
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Theoretical and Actual Feed Per Tooth During Wood Sawing on an Optimizing Cross-Cut Saw
PublikacjaThe work presents the geometries of circular saw teeth, whose task is to divide the cross-cut of the cutting layer. For efficient machining on a cross-cut saw with high feed speed values (about 1 ms−1) maximal theoretical feeds per tooth are determined. These values were compared with the actual values determined during transverse cutting of pine wood on a special test stands in industrial conditions. In the experiment the rotational...
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Recent total cross section measurements in electron scattering from molecules
PublikacjaThe grand-total cross sections (TCSs) for electron scattering from a range of molecules, measured over the period 2009-2019 in various laboratories, with the use of different electron transmission systems, are reviewed. Where necessary, the presented TCS data are also compared to earlier results. Collection of investigated molecular targets (biomolecules, biofuels, molecules of technological application,hydrocarbons) reflects their...
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Solid Phase Micro-Extraction, a Versatile and Handy Tool in Environmental Trace Organic Analysis, Gets a New Class of Coatings, Polymeric Ionic Liquids
PublikacjaSolid phase microextraction (SPME) fundamentals, characteristics and application are described. The special stress is put on characteristics of sorbents used as SPME fiber coatings. Description of commercially available fibers and the present-day trends in development of new sorbents for SPME are given. Discussion is focused on possibility of application of ionic liquids (IL) and polymeric ionic liquids (PIL) as SPME fiber coatings....
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Free volume in physical absorption of carbon dioxide in ionic liquids: Molecular dynamics supported modeling
PublikacjaUnderstanding the mechanisms underlying the carbon dioxide (CO2) absorption in ionic liquids (ILs) is the key to their efficient utilization in industrial flue gas treatment. One of the parameters considered substantially important in the process is the Free Volume. In this study, the Fractional Free Volume (FFV) of 73 ILs was calculated using Molecular Dynamics (MD). A quantitative Structure-Property Relationship (QSPR) study...
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Solvation of ionic liquids based on N-methyl-N-alkyl morpholinium cations in dimethylsulfoxide – volumetric and compressibility studies
PublikacjaThe density and sound velocity of the solutions of ionic liquids based on N-alkyl-N-methyl-morpholinium cations, N-ethyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-butyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-methyl-N-octyl-morpholinium bis(trifluoromethanesulfonyl)imide and N-decyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide in dimethylsulfoxide were measured at T = (298.15 to 318.15)...
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Unveiling the electron-induced ionization cross sections and fragmentation mechanisms of 3,4-dihydro-2H-pyran
PublikacjaThe interactions of electrons with molecular systems under various conditions are essential to interdisciplinary research fields extending over the fundamental and applied sciences. In particular, investigating electron-induced ionization and dissociation of molecules may shed light on the radiation damage to living cells, the physicochemical processes in interstellar environments, and reaction mechanisms occurring in combustion...
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Cross Cultural Management-An International Journal
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International Journal of Cross Cultural Management
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Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations
PublikacjaThe highest resolution vacuum ultraviolet photoabsorption spectrum of ethyl formate, C2H5OCHO, yet reported is presented over the wavelength range 115.0–275.5 nm (10.75–4.5 eV) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series, observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies...
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Effect of the ionic liquids on extraction of aromatic and sulfur compounds from the model petrochemical stream
PublikacjaSuitability of a imidazolium ionic liquids (ILs) as solvents in dearomatization and desulfurization in the ternary systems and in a model multicomponent systems has been analyzed. With this aim, ternary liquid-liquid phase equilibrium data (LLE) have been obtained for ternary mixtures of {IL + benzene, or toluene, or thiophene, or 2-butanethiol + hexane}, or {IL + benzene + 2-methylpentane} at T = 298.15 K and ambient pressure,...
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Linking habitat composition, local population densities and traffic characteristics to spatial patterns of ungulate‐train collisions
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Linking occurrence and changes in local abundance of farmland bird species to landscape composition and land-use changes
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Linking optical and electronic properties to photoresponse of heterojunctions based on titania nanotubes and chromium, molybdenum, and tungsten oxides
PublikacjaThe development of photosensitization strategies for titanium dioxide is necessary for the enhancement of its optical and electronic properties towards its application potential in solar photoelectrochemistry. In this work, significant differences in the photosensitizing capability of the 6th group transition metal oxides applied on the surface of titania nanotubes are reported. For the first time, correlations between the experimentally...
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User-assisted methodology targeted for building structure interpretable QSPR models for boosting CO2 capture with ionic liquids
PublikacjaTask-specific ionic liquid (IL) is an emerging class of compounds that may be environmentally friendly. Properly selected, these compounds may be green alternative to amine solutions and can replace them in post-combustion carbon dioxide (CO2) capture processes on an industrial scale. However, owing to the vast diversity of ions and their possible combinations, laboratory research is time consuming and expensive. Therefore, computational...
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Effect of multi-walled carbon nanotubes properties on the photocatalytic activity of bismuth-based composites synthesised via an imidazolium ionic liquid
PublikacjaThe use of various types of multi-walled carbon nanotubes in the synthesis of bismuth oxybromide semiconductors via imidazolium ionic liquid was studied in detail. The effect of the MWCNT shape, specific surface area, and various diameters on the morphology, surface properties and photoactivity of the Bi-based composites has been investigated for the first time. So far, the literature has only shown the enhancement of photocatalytic...