Formation Of Phase Research Articles

In Ukrainian

The relevance of obtaining new samples of nanoscale materials and researching ways to control these processes is supported by constant progress in the fields of nanotechnology, semiconductors, biomedicine, wastewater treatment etc. The Fe0(Steel3)-H2O-O2 system, which is considered promising for use in the specified industries, allows both obtaining a number of nanoscale phases of iron oxygen-containing compounds (IOCs), in particular magnetite, cobalt ferrous ferrite, iron(III) hydroxide oxides, and controlling these processes due to changes in the physicochemical conditions of the process. Taking into account the permanent change in the specified system of phase composition on the metal surface, the method of X-ray diffraction analysis (XRD) was applied using the created additional device for the goniometric attachment GP-13 for the in situ study of IOCs formation processes on the surface of a steel disc in the system Fe0(St3)-H2O-O2. This made it possible to investigate the mechanisms and optimal conditions for the formation of individual ultradisperse and nanosized phases of IOCs under a number of physicochemical conditions. By calculating the area under the characteristic peaks on the in situ XRD patterns, quantitative ratios of IOCs formed under certain physicochemical conditions were found, and the average size of crystallites was calculated according to Scherer's formula, which provided additional information for the analysis of IOCs formation mechanisms. Along with this, the method of scanning electron microscopy (SEM) and the XRD without an additional in situ device were used. Based on the analysis of the obtained kinetic regularities, conclusions were made about the formation of IOCs by the formation of iron (II-III) hydroxycarbonate and hydroxysulfate layered double hydroxides I and II types, followed by their transformation to the final nanoscale phases of magnetite, cobalt ferrous ferrite, and iron(III) hydroxide oxides. The formation and accumulation of ferrous hydroxide phase was not recorded by the XRD in situ, however, in the Fe0(St3)-H2O-O2 system, the formation of iron (II-III) layered double hydroxides based on its monolayers is not excluded. The preference of carbonate anions over chloride anions in the formation processes of iron layered double hydroxides is shown.

Phase separation of polyubiquitinated proteins in UBQLN2 condensates controls substrate fate.

Covalent attachment of polyubiquitin chains to eukaryotic proteins is a common protein quality control signal. Ubiquitination often marks proteins for degradation by the proteasome, but can also drive non-degradative outcomes. Proteins, including UBQLN2, that bind both polyubiquitin and the proteasome can either enhance or inhibit degradation. The ALS-related UBQLN2 is recruited to membraneless organelles, including stress granules, and undergoes phase separation in vitro , but the effects of phase separation on substrate fate are unknown. Herein we show that UBQLN2 phase separation is modulated by polyubiquitinated substrates in a linkage-dependent fashion. We show that two functional outcomes, degradation and deubiquitination, are differentially affected by phase separation. Our results suggest that phase separation of substrates and UBQLN2 could control protein fates.

Studies of electrical resistivity and magnetic properties of CuFe and CuNiFe films prepared by magnetron sputtering

The Cu-Fe binary alloys exhibit severe elemental segregation, resulting in an inhomogeneous microstructure, which leads to differences in microregion magnetic properties, thus affecting their application. Employing magnetron sputtering to produce films is advantageous for achieving a consistent dispersion of Fe within the Cu matrix. Furthermore, the addition of Ni will result in a more uniform distribution of Fe and facilitate the formation of the ferromagnetic Ni3Fe phase. In this study, Cu100−xFex and Cu100−x(Ni3/4Fe1/4)x series films were prepared by magnetron sputtering technique. The magnetic properties of films are closely related to their ferromagnetic element content. An increase in the content of ferromagnetic elements leads to an improvement in the saturation magnetization (MS) strength and a decrease in the coercivity (HC). The formation of Fe-Fe pairs is more favorable for magnetic properties compared to Ni-Fe pairs. Meanwhile, by comparing with bulk alloys, the distribution of the magnetic elements severely affects the magnetic properties. Moreover, the resistivity of Cu100−xFex films (20.3–96.7 μΩ cm) is much higher than that of Cu100−x(Ni3/4Fe1/4)x films (15.6–60.6 μΩ cm), which depends on the magnetic properties. This study systematically analyzes the effect of the content and distribution of magnetic elements on magnetic and electrical properties.

Preparation and electrochemical properties of Li6La3Zr0.7Ti0.3Ta0.5Sb0.5O12 high-entropy Li-garnet solid electrolyte

Garnet-type solid electrolytes stand out as promising Li-ion conductors for the next-generation batteries. It has been demonstrated that the inherent properties of garnets can be tailored by introducing various dopants into their crystal structures. Recently, there has been a growing interest in the concept of high entropy stabilization for materials design. In this study, we synthesized high-entropy garnets denoted as Li6La3Zr0.7Ti0.3Ta0.5Sb0.5O12 (LLZTTSO), wherein Ti, Sb, and Ta occupy the Zr site. The formation of the cubic garnet phase in LLZTTSO was confirmed through X-ray diffraction (XRD), and the resulting lattice parameter agreed with predictions made using computational methods. Despite the substantial porosity (relative density 80.6%) attributed to the low sintering temperature, LLZTTSO exhibits a bulk ionic conductivity of 0.099 mS cm−1 at 25°C, and a total ionic conductivity of 0.088 mS cm−1, accompanied by an activation energy of 0.497 eV. Furthermore, LLZTTSO demonstrates a critical current density of 0.275 mA cm−2 at 25°C, showcasing its potential even without any interfacial modification.

Comparative Study of Callistemon citrinus (Bottlebrush) and Punica granatum (Pomegranate) Extracts for Sustainable Synthesis of Silver Nanoparticles and Their Oral Antimicrobial Efficacy.

A comparative study was applied to investigate the potential of Callistemon citrinus (bottlebrush) flower extract (BBE) and Punica granatum (pomegranate) peel extracts (PPE) for the sustainable synthesis of the silver nanoparticles, Ag-BBE and Ag-PPE, respectively. The synthesis process of Ag NPs using the selected extracts was applied under optimized conditions. Hence, the effect of the selected plant's type on the different characteristics of the synthesized green Ag NPs was investigated. The UV-Vis spectroscopy revealed the presence of the characteristic silver peaks at 419 and 433 nm of the Ag-BBE and Ag-PPE, respectively. The XRD spectra reported the fcc phase formation of Ag NPs. The TEM results highlighted the morphological features of the synthesized Ag NPs. with a size range of 20-70 nm, and with 10-30 nm for Ag-BBE and Ag-PPE, correspondingly. The Raman spectra revealed characteristic silver bands in the Ag-PPE and reflected some bands related to the natural extract in the Ag-BBE sample. The antimicrobial activity and statistical analysis investigation were conducted against four selected oral pathogens (Staphylococcus aureus (SA), Candida albicans (CA), Staphylococcus epidermidis (S. epi), and Enterococcus faecalis (EF)). Both tested extracts, BBE, and PPE, revealed potential effectivity as reducing and capping agents for Ag NP green synthesis. However, the synthesized NPs demonstrated different features, depending on the used extract, reflecting the influence of the plant's biomolecules on the nanoparticles' properties.

Influence of Zirconium on the Microstructure, Selected Mechanical Properties, and Corrosion Resistance of Ti20Ta20Nb20(HfMo)20-xZrx High-Entropy Alloys.

The presented work considers the influence of the hafnium and molybdenum to zirconium ratio of Ti20Ta20Nb20(HfMo)20-xZrx (where x = 0, 5, 10, 15, 20 at.%) high-entropy alloys in an as-cast state for potential biomedical applications. The current research continues with our previous results of hafnium's and molybdenum's influence on a similar chemical composition. In the presented study, the microstructure, selected mechanical properties, and corrosion resistance were investigated. The phase formation thermodynamical calculations were also applied to predict solid solution formation after solidification. The calculations predicted the presence of multi-phase, body-centred cubic phases, confirmed using X-ray diffraction and scanning electron microscopy. The chemical composition analysis showed the segregation of alloying elements. Microhardness measurements revealed a decrease in microhardness with increased zirconium content in the studied alloys. The corrosion resistance was determined in Ringer's solution to be higher than that of commercially applied biomaterials. The comparison of the obtained results with previously reported data is also presented and discussed in the presented study.

Chloride transport in alkali activated materials influenced by different reaction products: a review

Alkali activated materials are regarded as a substitution building material of Portland Cement (PC) with high chloride resistance and low CO2 footprint. This review study provides a multi-scale perspective to understand material-product-microstructure-property relationships in terms of chloride binding behavior of AAMs. Physical and chemical chloride stability of different reaction products is summarized from nanostructure, microstructure to macro properties. The analysis of cited studies are determined to give an overview of recent progress in chloride transport in AAMs influenced by different reaction products. Results show that higher Ca/Si, Al/Si molar and alkali content increase amorphous phases formation, leading to a denser microstructure and lower chloride penetration in AAMs. Higher MgO and Al2O3 incorporation results in more formation of hydrotalcite. The enhanced physical and chemical absorption of chloride by hydrotalcite leads to higher resistance of chloride penetration in AAMs. The investigation of increasing chloride resistance can potentially focus on the increase of gels and hydrotalcite formation.

Dextran-Based Antibacterial Hydrogel Dressings for Accelerating Infected Wound Healing by Reducing Inflammation Levels.

Infected wounds pose challenges such as exudate management, bacterial infections, and persistent inflammation, making them a significant challenge for modern dressings. To address these issues in infected wounds more effectively, aerogel-hydrogel biphase gels based on dextran are developed. The gel introduced in this study exhibits antibacterial and anti-inflammatory properties in the process of wound therapy, contributing to accelerated wound healing. The aerogel phase exhibits exceptional water-absorption capabilities, rapidly soaking up exudate from infected wound, thereby fostering a clean and hygienic wound healing microenvironment. Concurrently, the aerogel phase is enriched with hydrogen sulfide donors. Following water absorption and the formation of the hydrogel phase, it enables the sustained release of hydrogen sulfide around the wound sites. The experiments confirm that hydrogen sulfide, by promoting M2 macrophage differentiation and reducing the levels of inflammatory factors, effectively diminishes local inflammation levels at the wound site. Furthermore, the sodium copper chlorophyllin component within the hydrogel phase demonstrates effective antibacterial properties through photodynamic antimicrobial therapy, providing a viable solution to wound infection challenges.

Effects of Calcination Temperature on the Synthesis of One-Pot Sol-Gelled Barium Titanate Powder and Its Performance as an Endodontic Radiopacifier.

Barium titanate (BaTiO3, BTO), conventionally used for dielectric and ferroelectric applications, has been assessed for biomedical applications, such as its utilization as a radiopacifier in mineral trioxide aggregates (MTA) for endodontic treatment. In the present study, BTO powders were prepared using the sol-gel process, followed by calcination at 400-1100 °C. The X-ray diffraction technique was then used to examine the as-prepared powders to elucidate the effect of calcination on the phase composition and crystalline size of BTO. Calcined BTO powders were then used as radiopacifiers for MTA. MTA-like cements were investigated to determine the optimal calcination temperature based on the radiopacity and diametral tensile strength (DTS). The experimental results showed that the formation of BTO phase was observed after calcination at temperatures of 600 °C and above. The calcined powders were a mixture of BaTiO3 phase with residual BaCO3 and/or Ba2TiO4 phases. The performance of MTA-like cements with BTO addition increased with increasing calcination temperature up to 1000 °C. The radiopacity, however, decreased after 7 days of simulated oral environmental storage, whereas an increase in DTS was observed. Optimal MTA-like cement was obtained by adding 40 wt.% 1000 °C-calcined BTO powder, with its resulting radiopacity and DTS at 4.83 ± 0.61 mmAl and 2.86 ± 0.33 MPa, respectively. After 7 days, the radiopacity decreased slightly to 4.69 ± 0.51 mmAl, accompanied by an increase in DTS to 3.13 ± 0.70 MPa. The optimal cement was biocompatible and verified using MG 63 and L929 cell lines, which exhibited cell viability higher than 95%.

Exploring high-valence element doping in LLZO electrolytes: Effects on phase transition and lithium-ion conductivity

The increasing popularity of electric vehicles and the emergence of 5G technology have created a demand for high-energy-density and safe batteries. Among various solid-state electrolytes, crystalline Li7La3Zr2O12 (c-LLZO) has garnered significant attention due to its exceptional properties. Researchers have explored doping in LLZO to modulate its phase transition and enhance lithium-ion conductivity. However, the mechanism by which doping induces a phase change and affects lithium-ion conductivity is currently unclear. In this study, we investigated LLZO doping and discovered that high-valence-element doping introduces vacancies, destabilizing the tetragonal phase and promoting the formation of the stable cubic phase. Moreover, we found that the introduction of lithium-ion vacancies significantly enhances lithium-ion conductivity. Nevertheless, doping also has adverse effects. Ga and Al dopants occupy the crucial Li24d sites, impeding lithium-ion diffusion and resulting in the closure of diffusion channels. Additionally, doping reduces the effective vacancy concentration within the structure, further restricting lithium-ion conductivity. In summary, our work elucidates the mechanism behind the influence of dopants on lithium-ion diffusion in LLZO.

Synthesis of Metastable Calcium Carbonate Using Long-Chain Bisphosphonate Molecules.

Cementation in construction materials primarily relies on the aqueous precipitation of minerals such as carbonates and silicates. The kinetics of nucleation and growth play a critical role in the development of strength and durability, yet our understanding of the kinetic controls governing phase formation and porosity reduction in cements remains limited. In this study, we synthesized bisphosphonate molecules with varying alkyl chain lengths and functional groups to investigate their impact on calcium carbonate precipitation. Through conductivity measurements, infrared spectroscopy, and thermogravimetric analysis, we uncovered the selective formation of polymorphs and the specific incorporation of these molecules within the carbonate matrix. Further, in situ atomic force microscopy revealed that these molecules influenced the morphology of the precipitates, indicating a possible effect on the ionic organization through sorption mechanisms. Interestingly, amorphous calcium carbonate (ACC), when formed in the presence of bisphosphonates, showed metastability for at least seven months without inhibiting further calcium carbonate precipitation. Our research sheds light on the diverse mechanisms by which organic additives can modify mineral nucleation and growth, offering valuable insights for the control and enhancement of carbonate-based cementation processes.

Preparation of Few-Layered MoS2 by One-Pot Hydrothermal Method for High Supercapacitor Performance.

Molybdenum disulfide (MoS2), a typical layered material, has important applications in various fields, such as optoelectronics, catalysis, electronic devices, sensors, and supercapacitors. Extensive research has been carried out on few-layered MoS2 in the field of electrochemistry due to its large specific surface area, abundant active sites and short electron transport path. However, the preparation of few-layered MoS2 is a significant challenge. This work presents a simple one-pot hydrothermal method for synthesizing few-layered MoS2. Furthermore, it investigates the exfoliation effect of different amounts of sodium borohydride (NaBH4) as a stripping agent on the layer number of MoS2. Na+ ions, as alkali metal ions, can intercalate between layers to achieve the purpose of exfoliating MoS2. Additionally, NaBH4 exhibits reducibility, which can effectively promote the formation of the metallic phase of MoS2. Few-layered MoS2, as an electrode for supercapacitor, possesses a wide potential window of 0.9 V, and a high specific capacitance of 150 F g-1 at 1 A g-1. This work provides a facile method to prepare few-layered two-dimensional materials for high electrochemical performance.

External magnesium sulfate attack on hydrated Portland-limestone cements: Effect of the concurrent presence of sodium chloride in the corrosive environment and metakaolin admixture in the binder

Magnesium sulfate attack on Portland-limestone cement pastes at low temperature was investigated considering the concurrent presence of sodium chloride in the corrosive solution. The common deterioration mechanism, involving leaching of portlandite and C─(A─)S─H phase and formation of crystalline phases and amorphous cross-linked aluminosilicate structures, was mitigated in the pastes made from ordinary or Portland-limestone cements by increasing amounts of dissolved sodium chloride. Conversely, it was intensified in the blend with metakaolin by the additional decomposition of C─A─H phases with the formation of amorphous aluminate hydrate. The reduced cross-linking of the aluminosilicate structures is attributed to the structural association of sodium in the low-Ca/Si chains. C─A─H phase was also consumed in the heavily deteriorated cement paste with the highest limestone content. The mitigating effect of sodium chloride is proposed to be due to the corrosive environment's reduced acidity and the protective effect exerted by the sodium ions absorbed at the surface of aluminosilicate structures.

Optimizing the curie temperature of La0.67Sr0.33MnO3–based composite materials around room temperature through the addition of Mo, Mn, and Ni metallic elements

Our study sheds light on the role of secondary phases in optimizing the magnetic properties of LSMO, offering valuable insights into the relationship between impurity phases, Curie temperature (TC), and magnetic entropy change. To achieve this goal, the Mn, Ni, and Mo elements were individually incorporated into the LSMO matrix to the formation of secondary phases. The solid-state reaction method was employed to create composite materials of (0.8)La0.67Sr0.33MnO3 + (0.2)A (A=Mn, Ni, and Mo). XRD and SEM results confirmed the successful formation of impurity phases within the main LSMO phase. From temperature-dependent magnetization (M(T)) measurements, it was determined that the TC of the samples approach towards room temperature with the existence of impurity phases. Additionally, the relationship between electron bandwidth (W) and TC was examined. The lowest TC value was observed for the lowest value of W. Besides these, the effect of the formation of impurity phases on the maximum magnetic entropy change (-ΔSMmax\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$-\\Delta {S}_{M}^{max}$$\\end{document}) value is examined, and it is seen that impurity phases cause a decrease in the (-ΔSMmax)\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$(-\\Delta {S}_{M}^{max})$$\\end{document} values.

Modeling the Effect of Sulfur Composition in Dispersed Systems Involving Organosulfur Compounds

Background:: Organosulfur compounds within petroleum have far-reaching consequences for the refining industry, combustion of petroleum products, and environmental quality. They induce corrosion in refining equipment, hamper the efficient burning of petroleum products, and contribute to environmental degradation. In high-density asphalt crudes, these compounds are predominantly concentrated within asphaltenes. However, crude oils with extremely high sulfur content, may be distributed across the four constituent families defined by the SARA analysis of crude oil composition. These compounds, characterized by differing polarities, can trigger the formation of a dispersed phase, whose destabilization results in tube clogging issues. Methods:: The research problem focuses on understanding how sulfur composition affects the formation of a dispersed phase in low-polarity organic dispersion media for sulfur-containing hydrocarbons. It is investigated because the presence of sulfur in crude oil significantly affects the behavior of dispersed phases, which can result in operational and environmental quality issues to comprehensively assess the impact of sulfur composition on the dynamics and stability of this dispersed phase, we introduce a mesoscopic model based on the master equation. This model considers the molecular structure of system components and their molecular properties, established through computational quantum chemistry and statistical thermodynamics tools Results:: While our research focuses on a two-phase system, our theoretical insights suggest that increased sulfur content escalates the likelihood of destabilizing the dispersed phase. This adverse effect can be mitigated by incorporating additives capable of reducing the polarizability of the dispersion medium. The novelty lies in the development of a stochastic model to predict the dynamics of dispersed phase formation in sulfur-containing hydrocarbons. This model considers molecular interactions and stochastic processes, offering insights into the influence of sulfur composition on phase behavior. Conclusion:: A stochastic model, based on molecular structure, predicts accelerated formation with increased sulfur concentration, reaching non-equilibrium steady states. Limitations include ad hoc transition probabilities and the exclusion of factors like density and viscosity. Real crudes, with complex compositions, may exhibit different behavior. The presence of sulfur in the dispersion medium enhances the stability of the dispersed system. Our work sheds light on the intricate interplay between sulfur content and the performance of petroleum systems, offering potential solutions to mitigate these issues. Quantitative results include accelerated dispersed phase formation with increased sulfur concentration. Qualitatively, molecular interactions and stochastic processes were explored, highlighting sulfur's impact on phase dynamics.

Forming high-strength and softening-resistant AlxHf0.5Mo0.5NbTa0.5TiVZr dual-phase refractory high-entropy alloys

Refractory high-entropy alloys AlxHf0.5Mo0.5NbTa0.5TiVZr with the addition of different amounts of low-density aluminum were developed to improve the strength and softening resistance at elevated temperatures. The microstructure and phase formation were investigated, and the mechanical properties and deformation behavior at various temperatures were studied. The primary dendrites consisted of body-centered cubic (Mo,Nb,Ta)-rich multicomponent phase, and the latter solidified interdendrites contained Al-(Hf,V,Zr)-rich second phase initiating from grain boundaries. With an increased aluminum content, the size of dendrites decreased, and the portion of the network-like second phase increased. The hard precipitates improved the yield strength and softening resistance but sacrificed the ductility of the alloys. At an appropriate aluminum content of x = 0.5, the Al0.5Hf0.5Mo0.5NbTa0.5TiVZr alloy showed promising softening resistance at 600 °C with a retained strength of 1240 MPa and a compressive strain of 13 %. A large number of dislocations formed a tangled dislocation forest than glided in a planar way, additionally enhancing the work hardening and improving the softening resistance. However, an excessive accumulation of dislocations at the phase boundaries caused the brittle fracture in the latter stage.

Lithium insertion/extraction mechanism in Mg2Sn anode for lithium-ion batteries

Due to its high capacity and excellent voltage properties, the Mg2Sn intermetallic phase is considered a promising anode material for next-generation lithium-ion batteries. However, the rapid capacity loss with cycling presently limits the application of Mg2Sn-based anodes. In this work, the Mg2Sn intermetallic phase was synthesized via a conventional casting method, and mechanisms of lithium ions intercalation into Mg2Sn alloy anodes were systematically studied. Density functional theory (DFT) calculations and electrochemical analyses identified two pathways involving four electrochemical reactions for Li+ intercalation/extraction in the Mg2Sn phase. The first pathway involves the insertion reaction of lithium ions into the octahedral sites of the Mg2Sn face center cubic (FCC) matrix, whilst the second involves the substitution of Mg by Li ions (releasing Mg metal). Furthermore, ex-situ EIS analysis and DFT calculations verified that adjusting the cut-off voltage range could control the reaction pathways. Excessively high or low cut-off voltages adversely impact the stability of the Mg2Sn anode. At cut-off voltages between 0.1 and 1 V, Mg2Sn anodes show very good capacity retention (78 % after 50 cycles), benefiting from the minimized formation of metallic Mg and Sn phases.

Investigation of a novel laser powder bed fusion nickel-based superalloy with hf, Y addition: Melt characteristic, microstructure and mechanical properties

In order to resolve the inherent strength-ductility trade-off dilemma observed in precipitation-strengthened nickel-based superalloys with high Al and Ti content, a composition modification strategy was devised. This study explored a novel laser powder bed fusion (LPBF) René104 alloy by incorporating Hf and Y (HfY-René104), examining its melt characteristics, microstructures, and mechanical properties. The experimental results demonstrate that the addition of Hf and Y effectively improves the molten pool structure of the as-built, alters grain orientation, diminishes grain aspect ratio, promotes the formation of cellular structures, AlY phases, stacking faults (SFs), and Lomer-Cottrell (L-C) locks at macro, meso, and micro scales, respectively. The primary contributors to yield strength are grain boundary strengthening and dislocation strengthening. Moreover, a dynamic Hall-Petch effect associated with cellular structures, SFs, and L-C locks ultimately results in remarkable strength (yield strength of 823 MPa, ultimate tensile strength of 1158 MPa) and enhanced ductility (elongation of 24.6 %) of HfY-René104 alloy.

Effect of dopant loading and calcination conditions on structural and optical properties of ZrO2 nanopowders doped with copper and yttrium

Undoped, Cu and/or Y doped ZrO2 nanopowders were synthesized with Zr, Y, and Cu nitrates using a co-precipitation approach. Their structural and optical properties were examined regarding dopant content (0.1–8.0 mol.% of CuO and 3–15 mol.% of Y2O3) and calcination conditions (400 °C–1000 °C and, 1,2 or 5 h) through Raman scattering, XRD, TEM, EDS, AES, EPR, UV–vis and FTIR diffused reflectance methods. The results showed that both Cu and Y dopants promoted the appearance of additional oxygen vacancies in ZrO2 host, while the formation of tetragonal and cubic ZrO2 phases was primarily influenced by the Y content, regardless of Cu loading. The bandgap of most of the powders was observed within the 5.45–5.65 eV spectral range, while for those with high Y content it exceeded 5.8 eV. The (Cu,Y)-ZrO2 powders with 0.2 mol.% CuO and 3 mol.% Y2O3 calcined at 600 °C for 2 h demonstrated nanoscaled tetragonal grains (8–12 nm) and a significant surface area covered with dispersed CuxO species. For higher calcination temperatures, the formation of CuZr 2+ EPR centers, accompanied by tetragonal-to-monoclinic phase transformation, was found. For fitting of experimental FTIR reflection spectra, theoretical models with one, five, and seven oscillators were constructed for cubic, tetragonal, and monoclinic ZrO2 phases, respectively. Comparing experimental and theoretical spectra, the parameters of various phonons were determined. It was found that the distinct position of the high-frequency FTIR reflection minimum is a unique feature for each crystalline phase. It was centered at 700–720 cm−1, 790–800 cm−1, and 820–840 cm−1 for cubic, tetragonal, and monoclinic phases, respectively, showing minimal dependence on phonon damping coefficients. Based on the complementary nature of results obtained from structural and optical methods, an approach for monitoring powder properties and predicting catalytic activity can be proposed for ZrO2–based nanopowders.

In vitro and in vivo studies of a biodegradable Zn-4Ag-0.1Sc alloy with high strength-elongation product, cytocompatibility, osteogenic differentiation, and anti-infection properties for guided bone-regeneration membrane applications

Zinc-silver (Zn-Ag) alloys are generally promising guided bone-regeneration membrane (GBRM) materials due to their moderate degradability, osteogenic differentiation, and antibacterial properties. However, Zn-Ag alloys often display microstructural inhomogeneity and mechanical instability due to the formation of coarse Ag-rich second phases. In this study, Zn-4Ag and Zn-4Ag-0.1Sc (denoted ZA and ZAS, respectively) were comparatively investigated, and the ZAS exhibited a suitable degradation rate, high strength-elongation product, cytocompatibility, antibacterial capacity, and in vitro and in vivo osteogenic properties, making it highly appropriate for GBRM applications. Among all the as-cast and hot-rolled (HR) samples, the HR ZAS had the highest ultimate tensile strength of ∼260.5 MPa, tensile yield strength of ∼202.0 MPa, and elongation of ∼72.7%. The HR ZAS also exhibited a higher degradation rate of ∼36.5 µm/a in Hanks’ solution than those of the HR ZA, while its diluted extract was more cytocompatible and capable of osteogenic differentiation toward both MG-63 and MC3T3-E1 cells. The HR ZAS showed an exceptionally effective antibacterial ability against S. aureus in both in vitro antibacterial testing and in vivo subcutaneous infection models. Further, the HR ZAS demonstrated better osteogenic and histocompatibility properties than those of pure Zn in a rat skull defect model.