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Search Results (1,903)

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Keywords = Zr/Ti

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29 pages, 5981 KB  
Article
Determination of Annealing Temperature of Thin-Walled Samples from Al-Mn-Mg-Ti-Zr Alloys for Mechanical Properties Restoration of Defective Parts After SLM
by Nikita Nikitin, Roman Khmyrov, Pavel A. Podrabinnik, Nestor Washington Solis Pinargote, Anton Smirnov, Idarmachev Idarmach, Tatiana V. Tarasova and Sergey N. Grigoriev
J. Manuf. Mater. Process. 2025, 9(11), 371; https://doi.org/10.3390/jmmp9110371 - 12 Nov 2025
Viewed by 103
Abstract
The aim of this work is to investigate the effect of annealing (at temperatures ranging from 260 °C to 530 °C) of thin-walled Al-Mn-Mg-Ti-Zr samples manufactured by selective laser melting (SLM) on their tensile mechanical properties, hardness, and surface roughness. The results of [...] Read more.
The aim of this work is to investigate the effect of annealing (at temperatures ranging from 260 °C to 530 °C) of thin-walled Al-Mn-Mg-Ti-Zr samples manufactured by selective laser melting (SLM) on their tensile mechanical properties, hardness, and surface roughness. The results of this study may contribute to the development of post-processing modes for thin-walled products made of corrosion-resistant aluminum alloys with increased strength, manufactured using SLM technology. Hierarchical clustering methods allowed us to identify three groups of thin-walled samples with different strain-hardening mechanisms depending on the annealing temperature. The greatest hardening is achieved in the first group of samples annealed at 530 °C. Metallographic analysis showed that at this heat treatment temperature, there are practically no micropores (macrodefects) and microcracks. X-ray phase analysis showed the precipitation of Ti and Zr, as well as the formation of an intermetallic phase with a composition of Mg8Al16. At lower heat treatment temperatures, from 260 °C to 500 °C, the observed hardening is statistically significantly lower than at 530 °C. This phenomenon, combined with the formation of intermetallic phases and the precipitation of titanium/zirconium, contributes to the hardening of thin-walled Al-Mn-Mg-Ti-Zr alloy samples manufactured by SLM. The main results of this study show that the optimal strain hardening of thin-walled Al-Mn-Mg-Ti-Zr alloy samples manufactured by SLM is achieved by heat treatment at 530 °C for 1 h. The strengthening mechanism has two characteristics: (1) dispersion strengthening due to the formation of precipitates and (2) reduction in macrodefects at high temperatures. Full article
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19 pages, 4975 KB  
Article
Low-Cost and High-Strength Titanium–Zirconium–Oxygen Alloy Prepared by Spark Plasma Sintering
by Hongliang Xiang, Qinchang Wu, Weixuan You, Xiaoqiang Cai, Wei Zhao, Ye Huang, Xiangkai Zhang and Chaochao Wu
Materials 2025, 18(22), 5138; https://doi.org/10.3390/ma18225138 - 12 Nov 2025
Viewed by 164
Abstract
Ti-Zr alloys are widely used in medical implants owing to their excellent biocompatibility. However, conventional alloying strategies to improve their performance often increase costs or introduce toxic elements. In this study, oxygen (O), a lightweight, cost-effective, and non-toxic element, was employed to strengthen [...] Read more.
Ti-Zr alloys are widely used in medical implants owing to their excellent biocompatibility. However, conventional alloying strategies to improve their performance often increase costs or introduce toxic elements. In this study, oxygen (O), a lightweight, cost-effective, and non-toxic element, was employed to strengthen Ti-Zr alloys. A novel Ti-Zr-O alloy was fabricated via spark plasma sintering (SPS), where the oxygen content was precisely controlled by incorporating TiO2 powder into the Ti-15Zr base powder. The sintered samples achieved a relative density above 99%, indicating nearly full densification under the optimized SPS conditions. Oxygen addition significantly refined the grain structure, while all O-containing samples maintained a uniform α-Ti phase with random crystal orientation. With increasing oxygen content, the compressive yield strength of the Ti-15Zr alloy increased from 619.24 MPa to 1634.18 MPa, accompanied by a decrease in compressive strain from 50.03% to 31.10%. These results demonstrate that the designed alloy combines superior yield strength with favorable ductility. Furthermore, quantitative analysis of the strengthening mechanisms revealed that oxygen atoms mainly occupy octahedral interstitial sites within the Ti-15Zr matrix, and solid-solution strengthening contributes more significantly than grain refinement. This work provides a promising route for the development of low-cost, high-performance Ti-Zr alloys for biomedical applications. Full article
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16 pages, 3460 KB  
Article
Characterisation of Electro-Brush Plated Nickel Coatings on P-Type (Zr,Ti)Co(Sn,Sb) Half-Heusler Thermoelectric Materials for Stable Contact Layers
by Mikdat Gurtaran, Zhenxue Zhang, Xiaoying Li and Hanshan Dong
Materials 2025, 18(22), 5108; https://doi.org/10.3390/ma18225108 - 10 Nov 2025
Viewed by 181
Abstract
In this study, a highly conductive nickel (Ni) layer was deposited onto a P-type (Zr,Ti)Co(Sn,Sb) half-Heusler (HH) thermoelectric (TE) material using a low-cost electro-brush plating technique. Before depositing Ni on the TE material, the plating process was optimised on a stainless steel (SS) [...] Read more.
In this study, a highly conductive nickel (Ni) layer was deposited onto a P-type (Zr,Ti)Co(Sn,Sb) half-Heusler (HH) thermoelectric (TE) material using a low-cost electro-brush plating technique. Before depositing Ni on the TE material, the plating process was optimised on a stainless steel (SS) substrate. An optimal medium-rate deposition voltage of 6V was identified on the SS substrate, with the desired thickness, superior mechanical performance, reduced sheet resistance and surface roughness, and enhanced electrical conductivity. The optimised deposition condition was then applied to the P-type (Zr,Ti)Co(Sn,Sb) material, resulting in a Ni layer that significantly enhanced its electrical and thermal stability. After thermal exposure at 500 °C for 10 h, the Ni coating effectively protected the TE surface against oxidation and sublimation, suggesting that the interfacial contact properties of P-type (Zr,Ti)Co(Sn,Sb) TE material can be effectively enhanced by depositing a highly conductive, oxidation-resistant Ni layer using the cost-effective, straightforward electro-brush plating technique. Full article
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20 pages, 7051 KB  
Article
Using Coatings Based on the ZrN System to Improve the Corrosion Resistance of Stainless Steel Products
by Sergey Grigoriev, Marina Volosova, Valery Zhylinski, Catherine Sotova, Filipp Milovich, Alexander Kalinichenko, Abdelhafed Taleb, Elena Eganova, Tatyana Borovik and Alexey Vereschaka
J. Manuf. Mater. Process. 2025, 9(11), 369; https://doi.org/10.3390/jmmp9110369 - 10 Nov 2025
Viewed by 289
Abstract
This article investigates the anticorrosive properties of Zr-ZrN coatings, including Zr-(Zr,Hf)N, Zr-(Zr,Ti)N, Zr,Hf-(Zr,Hf,Nb)N, and Zr,Nb-(Zr,Nb)N, deposited on AISI 321 stainless steel substrates. The hardness and elasticity modulus of these coatings, as well as their scratch test strength, were measured. Corrosion current densities were [...] Read more.
This article investigates the anticorrosive properties of Zr-ZrN coatings, including Zr-(Zr,Hf)N, Zr-(Zr,Ti)N, Zr,Hf-(Zr,Hf,Nb)N, and Zr,Nb-(Zr,Nb)N, deposited on AISI 321 stainless steel substrates. The hardness and elasticity modulus of these coatings, as well as their scratch test strength, were measured. Corrosion current densities were calculated using the polarisation resistance method and by extrapolating the linear sections of the cathodic and anodic curves under electrode polarisation. The structure and composition of the sample surfaces were analysed by transmission electron microscopy. Notably, the nitride coatings reduced the corrosion current density in a 3% aqueous NaCl solution at 25 °C by more than 10 times, from 6.96 for the uncoated substrate to 0.17 μA/cm2 for the Zr-(Zr,Ti)N-coated sample. The addition of Ti nitride to Zr-ZrN led to the most significant decrease in the corrosion current density. However, the introduction of Nb caused an increase in the corrosion rate and a decrease in the polarisation resistance, and Hf did not affect the corrosion-protective properties of the studied nitride coatings. Full article
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22 pages, 7129 KB  
Article
Hybrid Coatings of Chitosan-Tetracycline-Oxide Layer on Anodized Ti-13Zr-13Nb Alloy as New Drug Delivery System
by Aizada Utenaliyeva, Patrycja Osak, Karolina Dudek, Delfina Nowińska, Jan Rak, Joanna Maszybrocka and Bożena Łosiewicz
Appl. Sci. 2025, 15(21), 11830; https://doi.org/10.3390/app152111830 - 6 Nov 2025
Viewed by 336
Abstract
Titanium alloys are widely used in orthopedic and dental implants, yet their limited bioactivity and bacterial resistance remain critical challenges. This study aimed to enhance the surface performance of a Ti-13Zr-13Nb alloy through the formation of a porous oxide layer and the application [...] Read more.
Titanium alloys are widely used in orthopedic and dental implants, yet their limited bioactivity and bacterial resistance remain critical challenges. This study aimed to enhance the surface performance of a Ti-13Zr-13Nb alloy through the formation of a porous oxide layer and the application of a bioactive, drug-loaded coating. Porous oxide layers composed of Ti, Zr, and Nb oxides with fluoride incorporation were fabricated using a novel anodizing process. The fluoride-assisted electrochemical mechanism controlling oxide growth was elucidated through SEM and EDS analyses. The anodized surface exhibited reduced microhardness, beneficial for minimizing stress-shielding effects. Subsequently, chitosan–tetracycline composite coatings were produced via EPD and compared with dip-coating method. Characterization by ATR-FTIR, optical microscopy, SEM, and UV-VIS spectroscopy confirmed the formation of uniform, adherent, and moderately porous coatings with sustained drug release when produced by EPD, while dip-coated layers were less homogeneous and released the drug faster. Microhardness testing revealed improved mechanical integrity of EPD coatings. The developed chitosan–tetracycline–oxide layer system provides tunable nano/microgram-scale drug release and enhanced surface functionality, offering promising perspectives for acute and medium-term regenerative and antibacterial biomedical applications. Full article
(This article belongs to the Section Applied Biosciences and Bioengineering)
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22 pages, 5222 KB  
Article
Liquid Phase Catalytic Transfer Hydrogenation of Crotonaldehyde over ReOx-Supported Catalysts Using Formic Acid as In Situ Hydrogen Donor
by Carlos Esteban Aristizábal-Alzate, Verónica Naharro-Ovejero, Manuel Romero-Sáez and Ana Belén Dongil
Molecules 2025, 30(21), 4307; https://doi.org/10.3390/molecules30214307 - 5 Nov 2025
Viewed by 317
Abstract
The selective hydrogenation of the C=O bond over the C=C bond in α,β-unsaturated aldehydes remains a well-known challenge. This work investigates the liquid-phase catalytic transfer hydrogenation of crotonaldehyde to crotyl alcohol over ReOx-based catalysts, using formic acid (FA) as an in situ hydrogen [...] Read more.
The selective hydrogenation of the C=O bond over the C=C bond in α,β-unsaturated aldehydes remains a well-known challenge. This work investigates the liquid-phase catalytic transfer hydrogenation of crotonaldehyde to crotyl alcohol over ReOx-based catalysts, using formic acid (FA) as an in situ hydrogen donor. A series of 10 wt% Re catalysts supported on G200, g-C3N4, TiO2, and ZrO2 were synthesized and tested in a batch reactor at 20 bar and temperatures of 140–180 °C. Catalysts were characterized by XRD, BET, NH3-TPD, and XPS to correlate their physicochemical properties with catalytic behavior. Among the studied materials, ReOx/ZrO2 and ReOx/g-C3N4 exhibited the highest crotyl alcohol selectivity above 57% for all reaction temperatures, evaluated at crotonaldehyde conversion of 25%. The nature of the support strongly influenced the dispersion and oxidation state of Re species, as well as the surface acidity, which governed the activation of both the carbonyl group and the FA decomposition. Compared with molecular hydrogen, FA improved both conversion and selectivity due to its superior hydrogen-donating ability in the aqueous phase. These findings demonstrate that tailoring the acid–base characteristics of ReOx catalysts and employing biomass-derived hydrogen donors represent an effective strategy for selective hydrogenation of α,β-unsaturated aldehydes. Full article
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19 pages, 4154 KB  
Article
Energy-Storage Performance of High-Entropy (NaBiBa)0.205 (SrCa)0.1925TiO3-La(Mg0.5Zr0.5)O3 Ceramic Under Moderate Electric Fields
by Peng Shi, Heng Li, Yu Zhou, Ziying Wang and Yiming Wang
Energies 2025, 18(21), 5838; https://doi.org/10.3390/en18215838 - 5 Nov 2025
Viewed by 271
Abstract
With the global low-voltage power market expanding rapidly, lead-free dielectric ceramics exhibit excellent stability and environmental friendliness, but their strong field-dependence limits low-field applications. There is an urgent need to develop lead-free ceramic systems with outstanding energy-storage performance under modest electric fields to [...] Read more.
With the global low-voltage power market expanding rapidly, lead-free dielectric ceramics exhibit excellent stability and environmental friendliness, but their strong field-dependence limits low-field applications. There is an urgent need to develop lead-free ceramic systems with outstanding energy-storage performance under modest electric fields to meet the rapidly expanding global low-voltage power market for bulk ceramics. In this study, high-entropy ceramics (1 − x%)(NaBiBa)0.205(SrCa)0.1925TiO3-x%La(Zr0.5Mg0.5)O3 (x = 0–8) were successfully prepared. The introduced La(Zr0.5Mg0.5)O3 not only dissolves well in the high-entropy elementary lattice but also effectively improves its relaxation characteristics. High-entropy ceramics show optimal energy-storage characteristics, as indicated by an excellent energy-storage density of 4.46 J/cm3 and an energy-storage efficiency of 94.55% at 318 kV/cm. Moreover, its power density is as high as 92.20 MV/cm3, and the discharge time t0.9 is only 145 ns. Full article
(This article belongs to the Section D1: Advanced Energy Materials)
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16 pages, 5772 KB  
Article
Electrochemical Evaluation of Ag–CaP–ZrO2 Composite Coatings on Ti6Al4V for Enhanced Corrosion Resistance in Dental Implants
by Mohamed Aissi, Azzedine Er-ramly and Nadia Merzouk
Prosthesis 2025, 7(6), 141; https://doi.org/10.3390/prosthesis7060141 - 4 Nov 2025
Viewed by 257
Abstract
Objective: The Ti6Al4V titanium alloy is widely used for dental implants because of its excellent mechanical properties, corrosion resistance, and biocompatibility. However, its bioinert surface limits both osseointegration and resistance to bacterial colonization. Methods: To address these challenges, this study develops a composite [...] Read more.
Objective: The Ti6Al4V titanium alloy is widely used for dental implants because of its excellent mechanical properties, corrosion resistance, and biocompatibility. However, its bioinert surface limits both osseointegration and resistance to bacterial colonization. Methods: To address these challenges, this study develops a composite coating based on calcium phosphate (CaP) and silver (Ag), reinforced with zirconium oxide (ZrO2). The coating was deposited on Ti6Al4V using an immersion technique to improve the surface properties of the alloy. Electrochemical analyses (OCP, EIS, and potentiodynamic polarization) were performed in simulated physiological conditions to evaluate the corrosion behavior, while SEM/EDS was used to characterize the surface morphology and composition. Results: The Ag- and Zr-containing CaP coatings significantly improved the corrosion resistance of Ti6Al4V compared with uncoated and CaP-coated samples. Conclusions: This approach provides a promising strategy to enhance the electrochemical stability and long-term durability of titanium dental implants, thereby contributing to their reliable performance in the oral environment. Full article
(This article belongs to the Section Bioengineering and Biomaterials)
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17 pages, 7777 KB  
Article
Microstructure and Properties of TA2 Titanium Joints Brazed with Ti–Zr–Cu–Ni Filler Metal
by Zimeng Xiao, Huiling Zhou, Sheng Lu, Zexin Wang and Oleksandr Dobuvyy
Metals 2025, 15(11), 1218; https://doi.org/10.3390/met15111218 - 2 Nov 2025
Viewed by 371
Abstract
TA2 titanium was brazed with a Ti–37.5Zr–15Cu–10Ni filler metal at 860–890 °C for 20 min to investigate the influence of temperature on joint properties. Raising the brazing temperature reduced residual filler in the seam center and transformed the microstructure from heterogeneous phases to [...] Read more.
TA2 titanium was brazed with a Ti–37.5Zr–15Cu–10Ni filler metal at 860–890 °C for 20 min to investigate the influence of temperature on joint properties. Raising the brazing temperature reduced residual filler in the seam center and transformed the microstructure from heterogeneous phases to a uniform α-(Ti,Zr) solid-solution matrix, accompanied by significant widening of the diffusion layer. At brazing temperatures of 890 °C, the hardness decreased to below 300 HV0.5 and became more uniform as brittle phases were suppressed. The shear strength reached a maximum of 302 MPa, and the fracture morphology exhibited characteristics of ductile fracture. Micro-electrochemical testing indicated that the joint brazed exhibited an almost uniform current distribution and significantly reduced localized corrosion. Although a small fraction of the Widmanstätten structure was observed at this temperature, it did not impair the overall mechanical performance. These findings demonstrate that a moderate increase in brazing temperature promotes elemental diffusion, alleviates brittle phase enrichment, and markedly enhances the mechanical properties and corrosion resistance of TA2 joints. Full article
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16 pages, 3646 KB  
Article
Sintering of Alumina-Reinforced Ceramics Using Low-Temperature Sintering Additive
by Yuriy Alexandrovich Garanin, Rafael Iosifovich Shakirzyanov and Malik Erlanovich Kaliyekperov
Crystals 2025, 15(11), 949; https://doi.org/10.3390/cryst15110949 - 31 Oct 2025
Viewed by 322
Abstract
Reinforced alumina ceramics are renowned for their high hardness and strength among common oxide ceramics. However, high-temperature or high-pressure treatment is necessary for maximizing values of strength and hardness. In this paper, liquid-phase-assisted pressureless sintering of alumina reinforced with zirconia was studied. Sintering [...] Read more.
Reinforced alumina ceramics are renowned for their high hardness and strength among common oxide ceramics. However, high-temperature or high-pressure treatment is necessary for maximizing values of strength and hardness. In this paper, liquid-phase-assisted pressureless sintering of alumina reinforced with zirconia was studied. Sintering of dense ceramic bodies in relatively low temperatures (up to 1100 °C) was possible with the usage of CuO-TiO2-Nb2O5-based additive, together with an intense milling process. By using the XRD method, the formation of dominant α-Al2O3 and m-ZrO2 phases with small concentrations of secondary ones in experimental samples was confirmed. SEM studies showed that uniform distribution of components in the composite was achieved in samples sintered from intensively milled powders. The significant increase in the values of Vickers hardness and biaxial flexural strength (by 2.6 times) in samples from intensively milled powders at a sintering temperature of 1050 °C was explained by reduced porosity, improved grain distribution, and the formation of the t-ZrO2 phase in the alumina-reinforced composite. The study clearly showed high potential of the proposed low-temperature sintering method for zirconia-toughened aluminum oxide, which can be used in manufacturing of advanced ceramics. Full article
(This article belongs to the Special Issue Ceramic Materials: Structural, Mechanical and Dielectric Properties)
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31 pages, 9920 KB  
Article
Genesis of Early Cretaceous Magmatism in the Western Gangdese Belt, Southern Tibet: Implications for Neo-Tethyan Oceanic Slab Subduction
by Jiqing Lin, Ke Gao, Zizheng Wang, Zhongbiao Xu and Yongping Pan
Minerals 2025, 15(11), 1143; https://doi.org/10.3390/min15111143 - 30 Oct 2025
Viewed by 243
Abstract
Research on the Mesozoic–Cenozoic magmatism and the tectonic framework within the Lhasa Terrane is voluminous. However, the sparse documentation of Early Cretaceous magmatism in this region fuels ongoing debate over the prevailing tectonic regime during this time period (i.e., normal subduction vs. flat [...] Read more.
Research on the Mesozoic–Cenozoic magmatism and the tectonic framework within the Lhasa Terrane is voluminous. However, the sparse documentation of Early Cretaceous magmatism in this region fuels ongoing debate over the prevailing tectonic regime during this time period (i.e., normal subduction vs. flat subduction). The present study investigates the Luerma pyroxenite and Boyun granitoid in the Western Lhasa Terrane through zircon U-Pb dating, whole-rock geochemistry, mineral chemistry, and Sr-Nd-Hf isotopes. The findings date the formation of Luerma pyroxenite at 115 Ma and Boyun granites at 113 Ma to the Early Cretaceous period (115–113 Ma). SiO2 content of pyroxenite is relatively low (34.27–44.16 wt.%), characterized by an enrichment in large ion lithophile elements (LILEs), light rare earth elements (LREEs), and a depletion in heavy field strength elements (HSFEs), indicative of a metasomatic origin. The εNd (t) and εHf (t) values of the Early Cretaceous ultrabasic rocks range from +2.1 to +2.7 and −0.8 to +10.1, respectively, suggesting their derivation from an enriched mantle source with asthenospheric material incorporation. The Early Cretaceous granodiorites and their mafic enclaves belong to the high-K calc-alkaline series, and show enrichment in LILEs (e.g., Rb, Ba, U, and Th) and depletion in HFSEs (e.g., Nb, Ta, Ti, and Zr). The acidic rocks and their developed mafic enclaves exhibit the geochemical characteristics of trace elements found in island arc magmas. Their εNd (t) values are (−6.0–−5.0), while their εHf (t) values are (−11.7–−1.8); the MMEs εHf (t) values are (−4.1–+0.9). In summary, the Early Cretaceous pyroxenite in the Gangdese Belt originated from a combination of asthenospheric and enriched lithospheric mantle melts, while the granitoids were generated by partial melting of the mantle wedge, a process driven by metasomatism resulting from the slab-derived fluids. At the same time, heat from upwelling mantle-derived melts induced the partial melting of lower crustal materials, leading to the formation of acidic magmas through varying degrees of mixing with basic magmas. This study suggests that Early Cretaceous magmatic activity occurred within a northward subduction setting, characterized by the rotation and fragmentation of the Neo-Tethys oceanic crust. Full article
(This article belongs to the Section Mineral Geochemistry and Geochronology)
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11 pages, 1388 KB  
Article
Effect of ω-Phase Precipitation on Magnetic Susceptibility and Corrosion Resistance of Meta-Stable β-Phase Zr-Nb-Ti-Cr Alloy
by Shinya Tamura, Tomonori Kimura and Yasuhisa Aono
Metals 2025, 15(11), 1208; https://doi.org/10.3390/met15111208 - 30 Oct 2025
Viewed by 282
Abstract
As well as having corrosion resistance and mechanical properties, medical metallic biomaterials used in metal implants must allow imaging by MRI for prognostic diagnosis. Alloys based on Ti, Fe, Co, etc., have the disadvantage that those constituent elements have higher magnetic susceptibility than [...] Read more.
As well as having corrosion resistance and mechanical properties, medical metallic biomaterials used in metal implants must allow imaging by MRI for prognostic diagnosis. Alloys based on Ti, Fe, Co, etc., have the disadvantage that those constituent elements have higher magnetic susceptibility than the tissue surrounding the metallic implant, and this condition results in defects and distortions (“artifacts”) in MR images during MRI imaging. In consideration of this issue, MRI-compatible low-magnetic-susceptibility materials are currently being researched and developed. In this study, microstructural control of Zr-based alloys by alloy design and heat treatment was investigated. The problem with pure Zr is its low corrosion resistance due to the α-phase of its hexagonal-close-packed (HCP) structure. However, alloys that were alloyed and solution heat-treated to a β-phase (body-centered cubic (BCC) structure) showed high corrosion resistance. In particular, when Zr-15Nb-5Ti-3Cr, which has relatively high corrosion resistance, was subjected to aging heat treatment at 673 K for 1.8 ks, precipitation of fine ω-phase in the β-phase was confirmed. The metallographic structure in which the ω-phase precipitated in the β-phase provided high corrosion resistance [≧1000 mV (vs. SHE)] derived from the β-phase, as well as low magnetic susceptibility (approximately 1.2 × 10−6 cm3/g), due to the effect of the ω-phase. This study provides guidelines for microstructural control to achieve both low magnetic susceptibility and high corrosion resistance in Zr-based metallic biomaterials for medical use. Full article
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17 pages, 1080 KB  
Review
Metal–Organic Frameworks for Enzyme Modulation in Protein Kinase and Phosphatase Regulation—Mechanisms and Biomedical Applications
by Azizah Alamro and Thanih Balbaied
Kinases Phosphatases 2025, 3(4), 21; https://doi.org/10.3390/kinasesphosphatases3040021 - 30 Oct 2025
Viewed by 334
Abstract
Metal–organic frameworks (MOFs) have been increasingly recognized as promising platforms for enzyme modulation, owing to their tunable porosity, high surface area, and versatile chemical functionality. In this review, the potential of MOFs for the inhibition and modulation of protein kinases and phosphatases—key regulators [...] Read more.
Metal–organic frameworks (MOFs) have been increasingly recognized as promising platforms for enzyme modulation, owing to their tunable porosity, high surface area, and versatile chemical functionality. In this review, the potential of MOFs for the inhibition and modulation of protein kinases and phosphatases—key regulators of cellular signaling and disease progression—is examined. The structural fundamentals of MOFs are outlined, followed by a discussion of common synthesis strategies, including solvothermal, microwave-assisted, sonochemical, and mechanochemical methods. Emphasis is placed on how synthesis conditions influence critical features such as particle size, crystallinity, surface chemistry, and functional group accessibility, all of which impact biological performance. Four primary mechanisms of MOF–enzyme interaction are discussed: surface adsorption, active site coordination, catalytic mimicry, and allosteric modulation. Each mechanism is linked to distinct physicochemical parameters, including pore size, surface charge, and metal node identity. Special focus is given to biologically relevant metal centers such as Zr4+, Ce4+, Cu2+, Fe3+, and Ti4+, which have been shown to contribute to both MOF stability and enzymatic inhibition through Lewis acid or redox-mediated mechanisms. Recent in vitro studies are reviewed, in which MOFs demonstrated selective inhibition of disease-relevant enzymes with minimal cytotoxicity. Despite these advancements, several limitations have been identified, including scalability challenges, limited physiological stability, and potential off-target effects. Strategies such as post-synthetic modification, green synthesis, and biomimetic surface functionalization are being explored to overcome these barriers. Through an integration of materials science, coordination chemistry, and molecular biology, this review aims to provide a comprehensive perspective on the rational design of MOFs for targeted enzyme inhibition in therapeutic contexts. Full article
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19 pages, 10608 KB  
Article
1T-ZrS2 Monolayer Decorated with Sc, Ti, and V Single Atoms: A Potential Gas Scavenger for NOx and SO2
by Xiaoxuan Wang, Jiaqi Zhang, Jinjuan Zhang, Xiaoqing Liu, Yuanqi Lin, Fangfang Li, Guangwei Wang, Yan Xu and Peng Wang
Nanomaterials 2025, 15(21), 1653; https://doi.org/10.3390/nano15211653 - 29 Oct 2025
Viewed by 361
Abstract
The intensification of industrialization and increasing energy consumption have led to elevated emissions of hazardous gases such as NO, NO2, and SO2, making their efficient capture and removal crucial for environmental remediation. In this work, first-principles calculations were employed [...] Read more.
The intensification of industrialization and increasing energy consumption have led to elevated emissions of hazardous gases such as NO, NO2, and SO2, making their efficient capture and removal crucial for environmental remediation. In this work, first-principles calculations were employed to systematically investigate the adsorption behavior of these gases on single-atom-decorated (Sc, Ti, and V) 1T-ZrS2 monolayers. The results indicate that the transition metal atoms preferentially occupy the hexagonal hollow sites of ZrS2, forming an approximately octahedral coordination field and exhibiting characteristic d-orbital splitting. During gas adsorption, the decorated systems exhibit pronounced metal-to-adsorbate charge donation and strong d-p hybridization, indicative of strong chemisorption. Notably, Ti-ZrS2 exhibits the strongest adsorption toward NO2, inducing partial molecular dissociation and suggesting catalytic activity, whereas Sc- and V-decorated systems predominantly maintain molecular adsorption. Recovery time calculations indicate that the adsorption processes are comparatively stable, making these systems suitable for gas capture and pollution abatement. Overall, single-atom decoration provides an effective strategy to modulate the electronic structure and gas interactions of ZrS2, highlighting its potential as an efficient gas scavenger for NO, NO2, and SO2. Full article
(This article belongs to the Section Theory and Simulation of Nanostructures)
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25 pages, 12718 KB  
Article
Temperature-Dependent Effectiveness of Ti, Nb, Zr, and Y in Controlling Grain Growth of AISI 304 Austenitic Stainless Steel
by Jaka Burja, Samo Tome and Aleš Nagode
Crystals 2025, 15(11), 931; https://doi.org/10.3390/cryst15110931 - 29 Oct 2025
Viewed by 217
Abstract
Crystal grain size control in steel is critical for achieving mechanical properties. This study investigates the effectiveness of microalloying with titanium, niobium, zirconium, and yttrium to inhibit grain growth with the pinning effect. The comparison of selected microalloying elements in the exact same [...] Read more.
Crystal grain size control in steel is critical for achieving mechanical properties. This study investigates the effectiveness of microalloying with titanium, niobium, zirconium, and yttrium to inhibit grain growth with the pinning effect. The comparison of selected microalloying elements in the exact same conditions is crucial for understanding their effect and is novel. Hot-rolled samples were annealed across a wide range of temperatures (1050 to 1200 °C) for up to eight hours. Microstructural analysis confirmed the presence of stable precipitates and non-metallic inclusions such as Nb(C,N), Ti(C,N), ZrO2, and Y2O3 acting as obstacles to grain boundary migration. All microalloying elements significantly outperformed the reference steel, but their effectiveness was highly dependent on the annealing temperature. Titanium was the most effective inhibitor at lower temperatures (1050 °C), while zirconium maintained control up to 1150 °C. Critically, at the highest temperature of 1200 °C, only the yttrium-alloyed steel retained a fine-grain structure, demonstrating superior thermal stability. Niobium, conversely, only showed a minimal effect at 1050 °C, though this grade also exhibited the highest hardness (up to 165 HB) due to precipitation hardening. The kinetics of grain growth were successfully modeled using the Arrhenius-type Sellars–Whiteman equation, accurately describing the behavior for up to four hours of annealing. The findings provide critical insight for selecting optimal microalloying strategies based on maximum operating temperature. Full article
(This article belongs to the Section Crystalline Metals and Alloys)
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