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Search Results (4,006)

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28 pages, 10482 KB  
Review
Hydroperoxides: Plant Steroids and Triterpenoids as Promising Candidates for Anti-Dementia Therapy
by Valery M. Dembitsky and Alexander O. Terent’ev
Oxygen 2026, 6(3), 15; https://doi.org/10.3390/oxygen6030015 (registering DOI) - 23 Jun 2026
Abstract
Hydroperoxides (R–OOH, organic hydroperoxides) constitute a relatively small but structurally diverse class of natural metabolites occurring in higher plants, fungi, and marine organisms. Their formation is closely associated with oxidative processes involving redox-active metal ions, particularly iron and copper, which promote reactive oxygen [...] Read more.
Hydroperoxides (R–OOH, organic hydroperoxides) constitute a relatively small but structurally diverse class of natural metabolites occurring in higher plants, fungi, and marine organisms. Their formation is closely associated with oxidative processes involving redox-active metal ions, particularly iron and copper, which promote reactive oxygen species (ROS) generation and the oxidative transformation of steroids and triterpenoids. In the present study, approximately 1500 naturally occurring steroids and triterpenoids were screened using the PASS (Prediction of Activity Spectra for Substances) platform to identify compounds with potential relevance to neurodegenerative disorders. Among the analyzed compounds, only 17 hydroperoxide-containing steroids and triterpenoids exhibited notable predicted anti-dementia activity and were selected for detailed evaluation. The selected compounds displayed a broad spectrum of predicted biological activities, including antineoplastic, anti-inflammatory, antiulcerative, antithrombotic, hepatoprotective, and neuroprotective effects. Several hydroperoxide-containing triterpenoids demonstrated particularly high predicted anti-dementia activity, with a norlupane-type hydroperoxide exhibiting the highest probability of activity (Pa = 0.972). The biological significance of these compounds may be related to the unique redox properties of the hydroperoxide functionality, which can participate in both oxidative and adaptive signaling processes. Because hydroperoxides interact with transition metal ions and reactive oxygen species, they occupy a complex position at the interface between oxidative stress, cellular defense mechanisms, and neurodegeneration. The present analysis highlights hydroperoxide-containing steroids and triterpenoids as an underexplored class of natural products with potential relevance to dementia research. However, the reported activities are based primarily on computational predictions and should be interpreted as indicators of pharmacological potential rather than experimentally validated therapeutic effects. Further investigations involving blood–brain barrier permeability assessment, biochemical studies, cellular assays, animal models, and clinical evaluation will be required to determine the true therapeutic value of these compounds in neurodegenerative diseases. Full article
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22 pages, 18736 KB  
Article
Waste Recycling of Scallop Shells in Concrete Production: Mechanical Behavior and Environmental Safety for End-of-Life Classification
by Farjallah Alassaad, Houssam Affan, Abdelrahman Mohamad, Amro Yaghi and Bechara Haddad
Recycling 2026, 11(6), 111; https://doi.org/10.3390/recycling11060111 (registering DOI) - 22 Jun 2026
Viewed by 111
Abstract
This study investigates the feasibility of recycling scallop shells as a partial substitute for natural coarse aggregates in concrete at replacement rates of 20%, 30%, and 40% by mass. The originality of the work lies in combining conventional mechanical and durability tests with [...] Read more.
This study investigates the feasibility of recycling scallop shells as a partial substitute for natural coarse aggregates in concrete at replacement rates of 20%, 30%, and 40% by mass. The originality of the work lies in combining conventional mechanical and durability tests with a six-month environmental monitoring protocol under simulated rainfall and an end-of-life regulatory interpretation of chemical release. Processed shells were used as a 2/20 mm coarse fraction and characterized by a density of 2713 kg/m3, a water absorption of 2.93%, and a Los Angeles coefficient of 15.1. At 28 days, compressive strength decreased from 33.7 MPa for the reference concrete to 27.9 MPa, 28.1 MPa, and 26.7 MPa for SS20, SS30, and SS40, respectively. Water-accessible porosity increased from 7.8% to 9.9%, and carbonation depth after 70 days increased from 6.2 mm to 12.8 mm at 40% shell replacement. In contrast, chloride ion migration decreased from 19.0 × 10−12 m2/s for the reference concrete to 17.4, 16.3, and 12.1 × 10−12 m2/s at 90 days for SS20, SS30, and SS40, respectively. Environmental monitoring showed low runoff concentrations for anions and trace metals, all below the French regulatory thresholds considered in this work. Under the conditions of this study, shell replacement up to 30% appears technically feasible for non-structural or lightly loaded applications, while the environmental behavior remained compatible with an inert end-of-life classification. Full article
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25 pages, 1386 KB  
Review
Intermolecular-Interaction-Driven Adaptive Remodeling: A Network Perspective on Plant Abiotic Stress Responses
by Leidi Liu, Xiangfei Cheng, Yihua Xu, Lu Liu, Shuai Zhong, Xiaohua Chao, Yumin Chen, Chengde Yu, Chengming Fan and Changsong Zou
Plants 2026, 15(12), 1920; https://doi.org/10.3390/plants15121920 (registering DOI) - 22 Jun 2026
Viewed by 200
Abstract
Abiotic stresses, including drought, salinity, alkalinity, temperature extremes, flooding, heavy metals, and emerging pollutants, challenge plant growth and productivity by disturbing water relations, ion balance, redox homeostasis, membrane stability, energy metabolism, and developmental progression. Although substantial progress has been made in the identification [...] Read more.
Abiotic stresses, including drought, salinity, alkalinity, temperature extremes, flooding, heavy metals, and emerging pollutants, challenge plant growth and productivity by disturbing water relations, ion balance, redox homeostasis, membrane stability, energy metabolism, and developmental progression. Although substantial progress has been made in the identification of stress-responsive hormones, second messengers, kinases, transcription factors, transporters, and metabolic regulators, plant stress adaptation cannot be fully explained by linear signaling cascades or single tolerance genes. A major unresolved question is how early molecular events are reorganized into coordinated physiological and developmental outputs that support survival, recovery, and productivity. In this review, we propose an intermolecular interaction-driven adaptive remodeling framework for plant abiotic stress responses. This framework emphasizes that stress tolerance emerges from dynamic changes in receptor–ligand recognition, protein–protein interactions, calcium decoding, redox-sensitive modification, phosphorylation networks, transcriptional regulation, chromatin-associated control, and metabolite-mediated feedback. We further emphasize ROS as integrative redox switches that connect stress sensing, defense activation, senescence-related transitions, and recovery, and chromatin-associated mechanisms as regulators that may stabilize primed or memory-like adaptive states. We discuss how these interaction networks converge on core signaling hubs, including abscisic acid, reactive oxygen species, Ca2+, and kinase/phosphatase systems, and how they remodel stomatal behavior, root architecture, ion and pH homeostasis, redox buffering, metabolism, development, and reproductive resilience. We further highlight how natural variation, multi-omics, genome editing, high-throughput phenotyping, and field validation can translate interaction-centered stress biology into crop resilience. This perspective provides a conceptual bridge between molecular stress perception, network behavior, physiological adaptation, and climate-resilient agriculture. Full article
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26 pages, 5189 KB  
Article
Hydrological Forcing of Anthropogenic Pulses of Trace Metal Mass Loading in the Santiago River, Mexico
by Aida Alejandra Guerrero de León, Valerie Natalia Salazar-Zepeda, Virgilio Zúñiga-Grajeda, Hasbleidy Palacios-Hinestroza, Walter Ramírez Meda and Jesús Barrera-Rojas
Hydrology 2026, 13(6), 160; https://doi.org/10.3390/hydrology13060160 - 18 Jun 2026
Viewed by 459
Abstract
The Santiago River is a highly anthropogenically impaired lotic system globally, yet the mechanisms governing its contaminant transport remain poorly understood under static monitoring paradigms. This study evaluates how hydrological forcing dictates the mobilization and bioavailability of trace metals by integrating a 15-year [...] Read more.
The Santiago River is a highly anthropogenically impaired lotic system globally, yet the mechanisms governing its contaminant transport remain poorly understood under static monitoring paradigms. This study evaluates how hydrological forcing dictates the mobilization and bioavailability of trace metals by integrating a 15-year public hydrochemical database from 10 monitoring nodes with SAR-derived discharge estimates and thermodynamic metal modeling (PHREEQC). To validate the structural integrity of the mass load estimates against hydrometric uncertainties, a deterministic boundary-sensitivity analysis was conducted. Results empirically refute the classical dilution paradigm, introducing the “Anthropogenic Pulse” to describe the non-linear acceleration of pollutant export during high-flow events (discharge Q surging from 36.62 to 286.13 m3/s). While climate-driven parameters follow seasonal cycles, industrial stressors (COD, Pb, Cd) remain in a chronic steady state, decoupling from volumetric dilution. Based on coupled × CQ × C (discharge × concentration) estimates, this dynamic induces a synchronized flushing of toxic burdens, exporting monthly peak loads exceeding 51,000 kg of Zinc, 6500 kg of Lead, and 3100 kg of Cadmium. Thermodynamic simulations reveal that this hydrological flushing functions as a chemical activator; the seasonal dilution of natural Alkalinity and Hardness suppresses the river’s theoretical buffered pH (from 8.5 to 7.0), maintaining metals in their uncomplexed free-ion states (Me2+). Modeling indicates that nearly 90% of the exported Cadmium remains in this highly labile, toxic form due to a dual coupling with both river Discharge (rs = 0.87) and pH (rs = 0.79). The identification of stochastic arsenic peaks 100 times above regulatory limits at Paso de Guadalupe (RS-08) underscores the failure of concentration-based monitoring. Our findings suggest that restoration strategies should shift toward mass-loading-based regulatory frameworks and targeted sediment management at critical nodes to mitigate the chronic export of bioavailable industrial waste. Full article
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30 pages, 14408 KB  
Review
Trends in Li/Na-Ion Battery Applications of Carbon-Based Anode Materials Derived from Biomass Recycling
by Yewon Lee, Seungyeon Hong, Jia Kim, Minjeong Shin and Changhoon Choi
Energies 2026, 19(12), 2869; https://doi.org/10.3390/en19122869 - 17 Jun 2026
Viewed by 188
Abstract
Biomass-derived carbons are promising sustainable anode materials for lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs) because biomass is renewable, abundant, low-cost, and naturally diverse in composition and morphology. Lignocellulosic frameworks, intrinsic heteroatoms, and biomass-derived inorganic species can be converted through carbonization, activation, graphitization, [...] Read more.
Biomass-derived carbons are promising sustainable anode materials for lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs) because biomass is renewable, abundant, low-cost, and naturally diverse in composition and morphology. Lignocellulosic frameworks, intrinsic heteroatoms, and biomass-derived inorganic species can be converted through carbonization, activation, graphitization, and doping into carbon architectures with tunable porosity, carbon ordering, and surface chemistry. This review first summarizes the compositional and structural features of biomass precursors and explains how processing conditions convert them into carbon frameworks. Recent advances in biomass-derived carbon anodes are then discussed by comparing the distinct design requirements for LIBs and SIBs. For LIBs, accessible surface area, hierarchical porosity, heteroatom-derived active sites, and improved electronic conductivity are generally beneficial for enhancing Li+ storage and rate capability. In contrast, SIB hard carbons require controlled surface exposure, expanded turbostratic spacing, and closed or latent pores to improve Na+ storage reversibility and initial Coulombic efficiency. These comparisons emphasize that biomass-derived carbon anodes should be designed according to system-specific storage mechanisms rather than a universal carbon design strategy. Full article
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27 pages, 5040 KB  
Article
Mechanism of Competitive Adsorption of Phosphate and Nitrate by Ternary Biopolymer–Bentonite Beads
by Rachid Aziam, Daniela Simina Stefan, Safa Nouaa, Camelia Ungureanu, Mohamed Chiban and Maria Teodora Stefan
Environments 2026, 13(6), 340; https://doi.org/10.3390/environments13060340 - 15 Jun 2026
Viewed by 435
Abstract
Wastewater containing such inorganic contaminants, especially phosphate and nitrate ions, has to be treated thoroughly before disposal into natural environments. This is a precautionary measure to avoid adverse effects on public health, which are exacerbated when these two pollutants are present in an [...] Read more.
Wastewater containing such inorganic contaminants, especially phosphate and nitrate ions, has to be treated thoroughly before disposal into natural environments. This is a precautionary measure to avoid adverse effects on public health, which are exacerbated when these two pollutants are present in an aqueous system. The present research investigated how the adsorption process is influenced by factors such as the effect of ion composition, contact time, temperature and competitive adsorption behavior in multi-anion systems using Ternary Biopolymer–Bentonite Beads. This study used five isotherms and four kinetic models to investigate phosphate ions removal on prepared natural Clay-Bio-polymer composite beads. The results indicate that the pseudo-second-order (PSO) kinetic model provides the most accurate description of the adsorption process. Moreover, the correlation coefficients (R2) obtained for both the Langmuir and Freundlich isotherm models are nearly equal to 1, confirming their strong reliability in fitting the experimental data. The strong fit of both the Langmuir and Freundlich models indicates that the adsorption process exhibits mixed behavior, with both monolayer adsorption on relatively homogeneous sites and multilayer adsorption on heterogeneous sites. This mixed-behavior system is typical of composite adsorbents with diverse surface properties. The Redlich-Peterson model, a hybrid of Langmuir and Freundlich, showed the best overall correlation (R2 = 0.990 for H2PO4 and 0.998 for NO3). The applicability of the Sips and Toth isotherm models, which account for both uniform and non-uniform adsorption behaviors, validated the experimental results. In the competitive binary system, the maximum adsorption capacities achieved by the composite were 121.844 mg/g for H2PO4 and 27.979 mg/g for NO3. The results indicate strong competition between H2PO4 and NO3 ions for the available active sites, reflecting an antagonistic adsorption. A positive value of ∆H° verifies that the adsorption process is endothermic and primarily physical, consistent with the experimental observations. The negative ∆G° values demonstrate that the adsorption occurs spontaneously, whereas the positive ∆S° indicates an increase in randomness at the solid–liquid interface during the uptake of phosphate ions. Full article
(This article belongs to the Section Environmental Pollution, Toxicology and Restoration)
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31 pages, 17998 KB  
Article
Bacterial and Fungal Community Responses to Long-Term Salinity Gradients in Natural Soils of Kazakhstan
by Ainash Nauanova, Aisulu Onggarbay, Anel Ordabayeva, Bolat Abdigulov, Akgul Kassipkhan, Gulzhanat Maxutbekova, Aiman Nazarova and Alexandr Shevtsov
Microorganisms 2026, 14(6), 1337; https://doi.org/10.3390/microorganisms14061337 - 14 Jun 2026
Viewed by 298
Abstract
Natural saline–alkaline soils are widespread in Central Asia, yet microbial responses to salinity gradients and ionic composition remain poorly resolved. We profiled bacterial communities (16S rRNA V3–V4, Illumina MiSeq) in 20 topsoil (0–20 cm) samples from four regions of Kazakhstan spanning non-saline to [...] Read more.
Natural saline–alkaline soils are widespread in Central Asia, yet microbial responses to salinity gradients and ionic composition remain poorly resolved. We profiled bacterial communities (16S rRNA V3–V4, Illumina MiSeq) in 20 topsoil (0–20 cm) samples from four regions of Kazakhstan spanning non-saline to highly saline conditions. Soil chemistry included pH, total mineralization (dry residue), and major ions (Na+, Cl, SO42−, HCO3, Ca2+, Mg2+, K+). Alpha (Chao1, Shannon, observed ASVs) and beta diversity (Bray–Curtis; ANOSIM; PCoA) were evaluated across salinity classes. Soils were alkaline (pH 7.91–10.47) and covered a broad salinity range (256–26,312 mg/L), driven mainly by Na+ with chloride and/or sulfate. Alpha diversity remained stable across salinity classes, though dispersion increased under high salinity. Community composition differed significantly among classes (ANOSIM R = 0.428, p = 0.005), with partial PCoA separation and overlap, indicating gradual turnover along the salinity gradient. In contrast, fungal communities showed no significant response to salinity, with stable alpha and beta diversity across all samples and consistent dominance of Ascomycota. Communities were dominated by Actinomycetota (formerly Actinobacteriota), Bacteroidota, and Pseudomonadota (formerly Proteobacteria). Bacteroidota increased in highly saline soils (FDR q = 0.036), whereas Acidobacteriota decreased (FDR q = 0.052). Thermodesulfobacteriota (formerly Desulfobacterota) correlated positively with sulfate, and Cyanobacteriota negatively with chloride. Overall, Kazakhstan’s saline–alkaline soils show stable bacterial alpha diversity but moderate, ion-linked compositional shifts with enrichment of halotolerant taxa. Full article
(This article belongs to the Special Issue Research of Soil Microbial Communities)
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25 pages, 1303 KB  
Review
State of the Art in the Use of Lignite and Its Processing Products for the Sorption of Heavy Metals and Organic Pollutants: A Review
by Serhiy Pyshyev, Mariia Shved, Yurii Lypko and Anatolii Hordiienko
ChemEngineering 2026, 10(6), 73; https://doi.org/10.3390/chemengineering10060073 - 12 Jun 2026
Viewed by 143
Abstract
The production of inexpensive, effective sorbents from natural materials for the purification of water bodies and/or soils is a pressing problem. Therefore, the purpose of this manuscript is to summarize current approaches to the use of brown coal (lignite) and its processing products [...] Read more.
The production of inexpensive, effective sorbents from natural materials for the purification of water bodies and/or soils is a pressing problem. Therefore, the purpose of this manuscript is to summarize current approaches to the use of brown coal (lignite) and its processing products (humic acids, HAs) as sorbents for the purification of aqueous and soil environments from heavy metal ions and other pollutants. Modification of lignite (chemical, biological, physicochemical) or the creation of lignite–mineral composites significantly increases its sorption capacity and stability: after modification, the sorption capacity can reach more than 85 mg of heavy metals per g of sorbent, which is only 3 times lower than that of specialized, expensive sorbents. Also, good results are achieved in the case of sorption of water-soluble organic drugs, dyes, etc. Humic acids obtained from brown coal have better selectivity and efficiency than the original lignite, and slightly worse than the modified one, in terms of removing cadmium, lead, copper, and other toxic elements; and also, can complex with organic xenobiotics. Current research trends indicate growing interest in multifunctional composite sorbents, environmentally friendly extraction technologies, and the development of materials with enhanced selectivity and regeneration ability. Future studies should focus on improving the understanding of sorption mechanisms, optimizing modification strategies, scaling up lignite-based technologies for practical environmental applications, and developing waste-free technologies to produce sorbents from lignite. Full article
(This article belongs to the Special Issue Innovative Approaches for the Environmental Chemical Engineering)
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24 pages, 1305 KB  
Review
Toxicity of Engineered Nanomaterials to Microalgae: Mechanisms, Modulating Factors, Combined Effects, and Methodological Advances
by Pengcheng Sheng, Lei Xv, Feng Lin, Yanzhou Ding, Yuchen Wang, Boyi Sun, Juyang Fu, Yunfei He and Dongren Zhou
Molecules 2026, 31(12), 2069; https://doi.org/10.3390/molecules31122069 - 12 Jun 2026
Viewed by 151
Abstract
Engineered nanomaterials are widely used in environmental remediation, agriculture, and industrial applications owing to their large specific surface area, high reactivity, and tunable physicochemical properties. However, their release into aquatic environments has raised increasing concerns regarding potential risks to primary producers. Microalgae are [...] Read more.
Engineered nanomaterials are widely used in environmental remediation, agriculture, and industrial applications owing to their large specific surface area, high reactivity, and tunable physicochemical properties. However, their release into aquatic environments has raised increasing concerns regarding potential risks to primary producers. Microalgae are highly sensitive to environmental stressors and play essential roles in photosynthesis, nutrient cycling, carbon fixation, and aquatic food-web stability, making them important model organisms for assessing the toxicity of engineered nanomaterials. This review summarizes the toxic effects and mechanisms of representative engineered nanomaterials, including metal and metal oxide nanoparticles, nanoplastics, and carbon-based nanomaterials, on microalgae. Major toxic pathways include nanoparticle attachment and aggregation on algal surfaces, shading effects, membrane damage, altered permeability, cellular internalization, toxic ion release, reactive oxygen species overproduction, photosynthetic inhibition, and metabolic disturbance. The review further discusses how particle size, morphology, surface coating, dissolution, aging, light, pH, and natural organic matter regulate nanomaterial bioavailability and toxicity. Combined toxicity caused by coexisting nanoparticles or emerging pollutants is also considered, with emphasis on synergistic, antagonistic, and concentration-dependent effects. Finally, recent methodological advances, such as near-native imaging, Raman-based spectroscopy, particle-specific elemental analysis, and multi-omics approaches, are highlighted. This review provides an integrated perspective for understanding nanomaterial toxicity to microalgae and supports future ecological risk assessment in aquatic environments. Full article
(This article belongs to the Section Materials Chemistry)
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24 pages, 3895 KB  
Review
Enamel Remineralizing Agents: State of the Art
by Elizabeta Gjorgievska, Marija Stevanovic, Aleksandar Dimkov and John W. Nicholson
Materials 2026, 19(12), 2550; https://doi.org/10.3390/ma19122550 - 12 Jun 2026
Viewed by 314
Abstract
Dental caries remains the most prevalent chronic disease worldwide, yet early enamel lesions are reversible if managed with appropriate remineralizing agents. This narrative review synthesizes current evidence on remineralizing agents, their mechanisms of action, and clinical applications, with a focus on dental materials [...] Read more.
Dental caries remains the most prevalent chronic disease worldwide, yet early enamel lesions are reversible if managed with appropriate remineralizing agents. This narrative review synthesizes current evidence on remineralizing agents, their mechanisms of action, and clinical applications, with a focus on dental materials used in preventive and minimally invasive dentistry. Traditional fluoride-based approaches enhance remineralization through fluorapatite formation; however, their effectiveness is limited when calcium and phosphate bioavailability is insufficient. Biomimetic agents, including casein phosphopeptide–amorphous calcium phosphate (CPP-ACP), bioactive glasses, tricalcium phosphate, and nano-hydroxyapatite, provide these bioavailable ions and demonstrate superior performance under challenging clinical conditions. Emerging therapies such as probiotics, photodynamic therapy, and laser-assisted mineralization show promise but require further clinical validation. Based on the primary mechanism of action, an original classification of remineralizing agents is proposed, grouping them into fluoride-based agents, calcium-phosphate systems, nanotechnology-based systems, biofilm modifiers, biomimetic and emerging systems, and adjunctive antimicrobial therapies. The review concludes that bioavailable calcium represents a critical limiting factor in remineralization under certain conditions, and that combination protocols incorporating multiple remineralizing agents, tailored to individual patient risk profiles, achieve superior outcomes compared to single-agent approaches. Clinicians are encouraged to adopt minimally invasive, patient-tailored remineralization strategies that arrest lesions before cavitation, preserving natural tooth structure and reducing the lifelong restorative burden. Full article
(This article belongs to the Special Issue Recent Research in Restorative Dental Materials (2nd Edition))
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19 pages, 12260 KB  
Article
Bioactive Coatings on Ti–Zr–Nb Alloy: Synthesis, Characterization and Implantology Potential
by Kseniia Kovalenko, Kostiantyn Sukhyi, Marcel Fedak, Miroslav Rimar, Oleh Kalinichenko, Oleksandr Yeromin, Olesia Shmychkova, Andrii Kulikov, Stanislav Kovalyov and Mykhailo Sukhyi
Materials 2026, 19(12), 2534; https://doi.org/10.3390/ma19122534 - 11 Jun 2026
Viewed by 283
Abstract
This research reports on the properties of oxide-ceramic coatings produced by plasma electrolytic oxidation in novel electrolyte solutions for implantology applications. A series of bioactive calcium-phosphate coatings was synthesized on medical-grade Ti-13Zr-13Nb alloy using the plasma electrolytic oxidation (PEO) method. Novel electrolytes enriched [...] Read more.
This research reports on the properties of oxide-ceramic coatings produced by plasma electrolytic oxidation in novel electrolyte solutions for implantology applications. A series of bioactive calcium-phosphate coatings was synthesized on medical-grade Ti-13Zr-13Nb alloy using the plasma electrolytic oxidation (PEO) method. Novel electrolytes enriched with calcium and phosphorus were developed, enabling the formation of coatings with tailored physicochemical and structural characteristics. A correlation was established between the electrolyte composition and the phase composition, thickness, morphology, porosity, and microhardness of the resulting coatings. The optimum coatings exhibited a Ca/P ratio close to that of natural human bone tissue, homogeneity, a well-developed porous surface topography, and controlled resorption behavior. For the first time, a mechanism of calcium-phosphate coating resorption in a biologically active environment has been proposed. It involves partial dissolution, the formation of apatite-like surface structures, and the subsequent controlled release of Ca and P ions. In vitro testing in simulated body fluid indicated the potential bioactivity of the synthesized coatings. The proposed calcium-phosphate coatings may be considered promising candidates for future implant surface modification. The results obtained are significant for the development of advanced orthopedic and dental implants, including those fabricated using additive manufacturing technologies. Full article
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17 pages, 6804 KB  
Article
DFT Evaluation of Metal Ion Selectivity in Protein Phosphatase PPM1A: The Effect of Native Metal Type and Multiplicity on the Competition with Other Biogenic Contenders for the Active Site
by Nikoleta Kircheva, Vladislava Petkova, Silvia Angelova and Todor Dudev
Biomolecules 2026, 16(6), 860; https://doi.org/10.3390/biom16060860 - 11 Jun 2026
Viewed by 202
Abstract
Protein phosphatase PPM1A plays a critical role in cellular signaling by dephosphorylating key regulatory proteins. According to experimental data, the enzyme requires either Mn2+ or Mg2+ bound in the active center(s), hence its catalytic activity strongly depends on the chelated metal [...] Read more.
Protein phosphatase PPM1A plays a critical role in cellular signaling by dephosphorylating key regulatory proteins. According to experimental data, the enzyme requires either Mn2+ or Mg2+ bound in the active center(s), hence its catalytic activity strongly depends on the chelated metal ions. In this study, the metal ion selectivity of PPM1A is investigated using DFT calculations on active site constructs of bi- and trinuclear metal centers and protein ligands from the first and second metal coordination shells. Binuclear Mn-Mn and trinuclear Mn-Mn-Mn sites show poor resistance to substitution by biogenic Fe2+ and Zn2+, with Gibbs energies of the Mn2+ → Fe2+/Zn2+ exchange being consistently negative in both the gas phase and condensed media. In contrast, Mg-Mg and Mg-Mg-Mg centers are substantially more robust, with a thermodynamically unfavorable Mg2+ → Fe2+/Zn2+ substitution—except in the case of the Mg-Mg-Zn complex. The primary factors governing this metal competition in the modeled structures are the nature of the competing cation and the solvation properties of its aqua complexes, while solvent exposure of the binding site and the number of metal cations in the catalytic center exert a comparatively minor effect. Overall, these findings demonstrate that Mg2+-loaded active sites offer considerably greater protection against biogenic metal displacement than their Mn2+ counterparts, thus shedding light on the metalloprotein stability and enzyme fidelity of PPM1A. Full article
(This article belongs to the Section Molecular Biophysics: Structure, Dynamics, and Function)
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36 pages, 6057 KB  
Review
Review of State-of-the-Art Degradation Models for Lithium-Ion Batteries
by Richa Vinod Tiwari, Lakshmana C. Rao and Cemal Basaran
Entropy 2026, 28(6), 669; https://doi.org/10.3390/e28060669 - 11 Jun 2026
Viewed by 387
Abstract
Lithium-ion batteries (LIBs) are widely used across a range of applications; however, they degrade over time due to various factors, including repeated charge–discharge cycling, material aging, and environmental conditions. Degradation models play a crucial role in predicting the lifespan of LIBs and in [...] Read more.
Lithium-ion batteries (LIBs) are widely used across a range of applications; however, they degrade over time due to various factors, including repeated charge–discharge cycling, material aging, and environmental conditions. Degradation models play a crucial role in predicting the lifespan of LIBs and in optimizing their design and operational strategies. This paper presents a comprehensive review of state-of-the-art degradation models for LIBs. The reviewed models primarily address key degradation mechanisms, including solid electrolyte interphase (SEI) formation, lithium plating, and particle fracture. For each mechanism, the underlying modeling approaches, their development, advantages, limitations, and associated challenges are critically discussed. Finally, this review identifies existing gaps in battery degradation modeling and proposes the Unified Mechanics Theory (UMT), which is the unification of laws of Newton and the second law of thermodynamics, and uses entropy as a degradation metric, as a promising alternative framework for capturing the coupled and multifaceted nature of battery degradation processes. Full article
(This article belongs to the Section Entropy Reviews)
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34 pages, 4454 KB  
Article
Thermochemical Activation of Lightweight Slag–Perlite Alkali-Activated Slag (AAS): Overcoming Aggregate Brittleness and Sulfate Degradation
by Hasan Eker and Demet Demir Şahin
Sustainability 2026, 18(12), 5981; https://doi.org/10.3390/su18125981 - 11 Jun 2026
Viewed by 194
Abstract
The successful realization of a circular economy in the cement industry, coupled with a substantial reduction in carbon emissions, relies on the development of sustainable alternative binder systems. This study investigated the physicomechanical performance and sulfate resistance of composites produced by alkali activation [...] Read more.
The successful realization of a circular economy in the cement industry, coupled with a substantial reduction in carbon emissions, relies on the development of sustainable alternative binder systems. This study investigated the physicomechanical performance and sulfate resistance of composites produced by alkali activation of natural perlite and blast furnace slag. The aim of the research was to improve mechanical properties under low- and medium-alkalinity conditions (5–10 M NaOH). The samples were cured at an ambient temperature of 20 °C and then treated with heat at 60 °C. These samples were then mechanically processed and subjected to five soak–dry cycles in 5% and 10% Na2SO4 solutions. The results showed that heat treatment resulted in the formation of a dense C-A-S-H gel, increasing compressive strength approximately eightfold, from 11.64 MPa to 92 MPa. However, perlite’s porous and brittle structure limits its flexural strength to 0.27 MPa; this value is insufficient for structural applications. Under severe sulfate attack (10% Na2SO4), samples cured at ambient temperature showed a 12% mass increase in the first cycle due to solution infiltration into capillary voids. As a consequence of extensive ettringite and gypsum formation, the specimens experienced severe deterioration, resulting in a complete loss of mechanical integrity and a residual compressive strength of 0 MPa. In contrast, heat-treated samples showed limited ion diffusion due to a denser matrix and an improved aggregate interface transition zone, resulting in a 2.6% mass increase and a residual compressive strength of 5.17 MPa. Consequently, the obtained findings indicate that thermally treated alkali-activated slag–perlite composites exhibit high resistance against sodium sulfate attack and may have potential for use in specific industrial environments with high sulfate concentrations. However, the performance of these materials under more complex aggressive conditions, such as mining environments involving magnesium sulfate exposure and acidic drainage waters, should be further validated through future studies. Full article
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30 pages, 8149 KB  
Review
Recent Advances in Modification Strategies and Functional Applications of Raw Lacquer: A Comprehensive Review
by Xiao Li, Yihua Qian, Xiaoyu Wu, Yunyao Zheng, Xinhao Feng and Xinyou Liu
Materials 2026, 19(12), 2489; https://doi.org/10.3390/ma19122489 - 10 Jun 2026
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Abstract
Raw lacquer, a natural polymer derived from the bast of lacquer trees (Toxicodendron vernicifluum), is renowned as the “King of Coatings” due to its exceptional film-forming properties, abrasion resistance, corrosion resistance, and biocompatibility. However, its inherent limitations—including stringent drying conditions, slow [...] Read more.
Raw lacquer, a natural polymer derived from the bast of lacquer trees (Toxicodendron vernicifluum), is renowned as the “King of Coatings” due to its exceptional film-forming properties, abrasion resistance, corrosion resistance, and biocompatibility. However, its inherent limitations—including stringent drying conditions, slow curing rates, deep coloration, and difficult application—have severely restricted its modernization and widespread adoption. This review systematically summarizes recent research advances in the modification and application of raw lacquer, focusing on four major modification strategies: (1) Nanocomposite modification—incorporating functional nanofillers such as Al2O3, cellulose nanofibrils (CNF), polydopamine (PDA) melanin-like nanoparticles, and SiO2 to significantly enhance film hardness, compactness, UV-aging resistance, and drying kinetics. (2) Chemical structure modification—employing molecular design strategies including aminoanthraquinone grafting, tung oil blending, water-based emulsification, and terpene/allyl group functionalization to improve hydrophobicity, flexibility, fast-drying properties, and achieve dual photo/oxygen curing. (3) Biomass synergistic composites—utilizing natural polymers such as chitosan and lignin, along with bio-inspired adhesion mechanisms (e.g., PDA), to confer advanced functionalities including antibacterial and antifouling properties. (4) Curing behavior regulation—precisely controlling drying kinetics through inorganic salt ion microenvironment engineering, nonionic surfactants, and salicylaldehyde Schiff base-based driers. Building upon these foundations, this review further expands on the emerging high-value applications of modified lacquer in preventive conservation of cultural heritage, advanced functional coatings (anti-corrosion, super-hydrophobicity, flame retardancy), biomedical materials (hemostasis, antibacterial activity, drug-controlled release, water treatment adsorption), and intelligent responsive flexible electronics. Finally, addressing challenges including weak fundamental research, bottlenecks in green industrialization, and lack of standardization, future development directions are proposed encompassing interdisciplinary innovation, sustainable modification strategies, integration of multifunctional intelligent systems, and big data-driven research paradigms, aiming to provide theoretical guidance and technical references for the high-value utilization and modernization of lacquer resources. Full article
(This article belongs to the Section Green Materials)
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