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15 pages, 1039 KB  
Article
Synthesis and Ionic Conductivity of NASICON-Type Li1+XFeXTi2-X(PO4)3(x = 0.1, 0.3, 0.4) Solid Electrolytes Using the Sol–Gel Method
by Seong-Jin Cho and Jeong-Hwan Song
Crystals 2025, 15(10), 856; https://doi.org/10.3390/cryst15100856 - 30 Sep 2025
Abstract
NASICON-type Li1+XFeXTi2-X(PO4)3 (x = 0.1, 0.3, 0.4) solid electrolytes for all-solid-state Li-ion batteries were synthesized using a sol–gel method. This study investigated the impact of substituting Fe3+ (0.645 Å), a trivalent cation, for [...] Read more.
NASICON-type Li1+XFeXTi2-X(PO4)3 (x = 0.1, 0.3, 0.4) solid electrolytes for all-solid-state Li-ion batteries were synthesized using a sol–gel method. This study investigated the impact of substituting Fe3+ (0.645 Å), a trivalent cation, for Ti4+ (0.605 Å) on ionic conductivity. Li1+XFeXTi2-X(PO4)3 samples, subjected to various sintering temperatures, were characterized using TG-DTA, XRD with Rietveld refinement, XPS, FE-SEM, and AC impedance to evaluate composition, crystal structure, fracture surface morphology, densification, and ionic conductivity. XRD analysis confirmed the formation of single-crystalline NASICON-type Li1+XFeXTi2-X(PO4)3 at all sintering temperatures. However, impurities in the secondary phase emerged owing to the high sintering temperature, above 1000 °C, and increased Fe content. Sintered density increased with the densification of Li1+XFeXTi2-X(PO4)3, as evidenced by FE-SEM observations of sharper edges of larger quasi-cubic grains at elevated sintering temperatures. At 1000 °C, with Fe content exceeding 0.4, grain coarsening resulted in additional grain boundaries and internal cracks, thereby reducing the sintered density. Li1.3Fe0.3Ti1.7(PO4)3 sintered at 900 °C exhibited the highest density among the other conditions and achieved the maximum total ionic conductivity of 1.51 × 10−4 S/cm at room temperature, with the lowest activation energy for Li ion transport at 0.37 eV. In contrast, Li1.4Fe0.4Ti1.6(PO4)3 sintered at 1000 °C demonstrated reduced ionic conductivity owing to increased complex impedance associated with secondary phases and grain crack formation. Full article
(This article belongs to the Section Inorganic Crystalline Materials)
31 pages, 2915 KB  
Review
A Review of the Progress in the Microbial Biosynthesis of Prenylated Aromatic Compounds
by Min Tang, Wanze Zhang, Yanjie Tian, Jianjun Qiao, Xiaobing Li, Weiguo Li and Qinggele Caiyin
Molecules 2025, 30(19), 3931; https://doi.org/10.3390/molecules30193931 - 30 Sep 2025
Abstract
Prenylated aromatic compounds (PACs) are widely distributed in nature and have important applications in medicine, cosmetics, and food due to their antioxidant, anticancer, and anti-inflammatory activities as well as role in the prevention of neurological diseases. Traditional methods of PAC production such as [...] Read more.
Prenylated aromatic compounds (PACs) are widely distributed in nature and have important applications in medicine, cosmetics, and food due to their antioxidant, anticancer, and anti-inflammatory activities as well as role in the prevention of neurological diseases. Traditional methods of PAC production such as plant extraction and chemical synthesis remain constrained by the low content of these compounds in plants and the complexity of the chemical processes. PACs are synthesized from aromatic compound receptors and prenyl side chain donors, which are in turn synthesized via the shikimate pathway and 2-C-methyl-D-erythritol-4-phosphate/mevalonic acid pathways, respectively. Increasing exploration and research on prenyltransferases (PTs), the key enzymes involved in PAC biosynthesis, have facilitated the emergence of microbial synthesis of PACs as a promising alternative to industrial production. The microbial biosynthesis of PACs is summarized herein, mainly from the perspective of screening and modification of the key enzymes PTs, selection of suitable host systems, and engineering the modification of microbial cell factories to enhance the yields of PACs. The future prospects and challenges of PAC biosynthesis are also discussed. Full article
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20 pages, 759 KB  
Review
Artificial and Bioengineered Therapeutic Options for Corneal Endothelial Disease
by Lanxing Fu, Alfonso Vasquez Perez, Sundas Maqsood, Nick Kopsachilis, Roberta Foti, Fabiana D’Esposito, Mutali Musa, Daniele Tognetto, Caterina Gagliano and Marco Zeppieri
Bioengineering 2025, 12(10), 1064; https://doi.org/10.3390/bioengineering12101064 - 30 Sep 2025
Abstract
Background: Corneal endothelial dysfunction continues to be a primary indication for corneal transplantation globally. Due to ongoing constraints in donor tissue availability and graft durability, artificial graft technologies are increasingly recognized as viable alternatives, particularly for eyes unsuitable for conventional allogeneic transplantation. [...] Read more.
Background: Corneal endothelial dysfunction continues to be a primary indication for corneal transplantation globally. Due to ongoing constraints in donor tissue availability and graft durability, artificial graft technologies are increasingly recognized as viable alternatives, particularly for eyes unsuitable for conventional allogeneic transplantation. Aim: This article examines the contemporary state of artificial corneal endothelial grafts, emphasizing technological advancements, incorporation into surgical procedures, and their developing function in meeting the unfulfilled requirements of endothelial keratoplasty. Methods: A comprehensive synthesis of recent preclinical and clinical literature was performed, concentrating on scaffold-based constructs, cell-seeded and acellular methodologies, biomaterial characteristics, and innovative surgical delivery techniques. The review highlights translational pathways and contrasts the initial outcomes of artificial and donor-derived endothelial grafts. Results: Advancements in regenerative biomaterials and cell culture systems have resulted in the development of functional endothelial substitutes. Engineered grafts, comprising decellularized stromal carriers, synthetic polymer matrices, and human cell-laden constructs, have demonstrated promising biocompatibility and functional results in preliminary trials. The integration of these constructs into methods akin to Descemet membrane endothelial keratoplasty (DMEK) has improved clinical viability, diminished immunologic risk, and shown potential for visual recovery. Conclusions: Artificial endothelial grafts signify a revolutionary advancement in corneal surgery, addressing donor shortages and expanding the applications of endothelial keratoplasty. Although additional clinical validation and regulatory processes are required, existing evidence indicates that these technologies may soon transform treatment protocols for corneal endothelial disease. Full article
(This article belongs to the Section Biomedical Engineering and Biomaterials)
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22 pages, 1783 KB  
Review
Effects of Virtual Reality on Motor Function and Balance in Incomplete Spinal Cord Injury: A Systematic Review and Meta-Analysis of Controlled Trials
by Yamil Liscano, Florencio Arias Coronel and Darly Martínez
Brain Sci. 2025, 15(10), 1071; https://doi.org/10.3390/brainsci15101071 - 30 Sep 2025
Abstract
Background/Objectives: Incomplete spinal cord injury (iSCI) represents a significant challenge in neurorehabilitation, with conventional limitations including recovery plateaus and declining patient motivation. Virtual reality (VR) and augmented reality (AR) have emerged as promising technologies to supplement traditional therapy through gamification and multisensory [...] Read more.
Background/Objectives: Incomplete spinal cord injury (iSCI) represents a significant challenge in neurorehabilitation, with conventional limitations including recovery plateaus and declining patient motivation. Virtual reality (VR) and augmented reality (AR) have emerged as promising technologies to supplement traditional therapy through gamification and multisensory feedback. This systematic review and meta-analysis evaluates the effectiveness of VR and AR interventions for improving balance and locomotor function in patients with incomplete spinal cord injury. Methods: A systematic review was conducted following PRISMA guidelines, with searches in PubMed, Scopus, Web of Science, Science Direct, and Google Scholar. Randomized controlled trials and high-quality controlled studies evaluating VR/AR interventions in patients with iSCI (American Spinal Injury Association Impairment Scale [AIS] classifications B, C, or D) for a minimum of 3 weeks were included. A random-effects meta-analysis (Standardized Mean Difference, SMD; 95% Confidence Interval, CI) was conducted for the balance outcome. Results: Eight studies were included (n = 142 participants). The meta-analysis for balance (k = 5 studies) revealed a statistically significant improvement with a large effect size (SMD = 1.21, 95% CI: 0.04–2.38, p = 0.046). For locomotor function, a quantitative meta-analysis was not feasible due to a limited number of methodologically homogeneous studies; a qualitative synthesis of this evidence remained inconclusive. Substantial heterogeneity was observed in the balance analysis (I2 = 81.5%). No serious adverse events related to VR/AR interventions were reported. Conclusions: VR/AR interventions show potential as an effective adjunctive therapy for improving balance in patients with iSCI, though the benefit should be interpreted with caution due to considerable variability between studies. The current evidence for locomotor function improvements is insufficient to draw conclusions, highlighting a critical need for more focused research. Substantial heterogeneity indicates that effectiveness may vary according to specific intervention characteristics, populations, and methodologies. Larger multicenter studies with standardized protocols are required to establish evidence-based clinical guidelines. Full article
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19 pages, 1084 KB  
Article
Production and Quality Control of [68Ga]Ga-FAPI-46: Development of an Investigational Medicinal Product Dossier for a Bicentric Clinical Trial
by Alessandro Cafaro, Cristina Cuni, Stefano Boschi, Elisa Landi, Giacomo Foschi, Manuela Monti, Paola Caroli, Federica Matteucci, Carla Masini and Valentina Di Iorio
Pharmaceuticals 2025, 18(10), 1475; https://doi.org/10.3390/ph18101475 - 30 Sep 2025
Abstract
Background/Objectives: Fibroblast activation protein (FAP) is highly expressed in tumor stroma and selected inflammatory conditions, offering a promising target for molecular imaging. [68Ga]Ga-FAPI-46 is a DOTA-based FAP inhibitor with excellent tumor-to-background ratio and potential advantages over [18F]FDG in low-glycolytic [...] Read more.
Background/Objectives: Fibroblast activation protein (FAP) is highly expressed in tumor stroma and selected inflammatory conditions, offering a promising target for molecular imaging. [68Ga]Ga-FAPI-46 is a DOTA-based FAP inhibitor with excellent tumor-to-background ratio and potential advantages over [18F]FDG in low-glycolytic tumors. This article aims to highlight the quality elements that are relevant to clinical practice and to describe the development of an investigational medicinal product dossier for a bicentric clinical trial involving [68Ga]Ga-FAPI-46. Methods: The radiolabeling was performed by the two facilities using different automated synthesizers, but with the same specifications and acceptance criteria Results: Three validation batches per site were analyzed for radiochemical/radionuclidic purity, pH, endotoxin, sterility, and bioburden according to European Pharmacopoeia standards. Stability was as sessed up to 2 h post-synthesis. All batches met predefined acceptance criteria. Conclusions: Despite differences in radiosynthesizer modules, product quality and process reproducibility were maintained across both centers. [68Ga]Ga-FAPI-46 can be reliably produced in academic settings under GMP-like conditions, enabling multicenter clinical research and facilitating IMPD submissions for broader adoption of FAP-targeted PET imaging. Full article
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43 pages, 2854 KB  
Review
Strategies for Enhancing BiVO4 Photoanodes for PEC Water Splitting: A State-of-the-Art Review
by Binh Duc Nguyen, In-Hee Choi and Jae-Yup Kim
Nanomaterials 2025, 15(19), 1494; https://doi.org/10.3390/nano15191494 - 30 Sep 2025
Abstract
Bismuth vanadate (BiVO4) has attracted significant attention as a photoanode material for photoelectrochemical (PEC) water splitting due to its suitable bandgap (~2.4 eV), strong visible light absorption, chemical stability, and cost-effectiveness. Despite these advantages, its practical application remains constrained by intrinsic [...] Read more.
Bismuth vanadate (BiVO4) has attracted significant attention as a photoanode material for photoelectrochemical (PEC) water splitting due to its suitable bandgap (~2.4 eV), strong visible light absorption, chemical stability, and cost-effectiveness. Despite these advantages, its practical application remains constrained by intrinsic limitations, including poor charge carrier mobility, short diffusion length, and sluggish oxygen evolution reaction (OER) kinetics. This review critically summarizes recent advancements aimed at enhancing BiVO4 PEC performance, encompassing synthesis strategies, defect engineering, heterojunction formation, cocatalyst integration, light-harvesting optimization, and stability improvements. Key fabrication methods—such as solution-based, vapor-phase, and electrochemical approaches—along with targeted modifications, including metal/nonmetal doping, surface passivation, and incorporation of electron transport layers, are discussed. Emphasis is placed on strategies to improve light absorption, charge separation efficiency (ηsep), and charge transfer efficiency (ηtrans) through bandgap engineering, optical structure design, and catalytic interface optimization. Approaches to enhance stability via protective overlayers and electrolyte tuning are also reviewed, alongside emerging applications of BiVO4 in tandem PEC systems and selective solar-driven production of value-added chemicals, such as H2O2. Finally, critical challenges, including the scale-up of electrode fabrication and the elucidation of fundamental reaction mechanisms, are highlighted, providing perspectives for bridging the gap between laboratory performance and practical implementation. Full article
27 pages, 2749 KB  
Article
Biogenic TiO2–ZnO Nanocoatings: A Sustainable Strategy for Visible-Light Self-Sterilizing Surfaces in Healthcare
by Ali Jabbar Abd Al-Hussain Alkawaz, Maryam Sabah Naser and Ali Jalil Obaid
Micro 2025, 5(4), 45; https://doi.org/10.3390/micro5040045 - 30 Sep 2025
Abstract
Introduction: Hospital-acquired infections remain a significant healthcare concern due to the persistence of pathogens such as Staphylococcus aureus and Escherichia coli on frequently touched surfaces. Conventional TiO2 coatings are limited to UV activation, which restricts their application under normal indoor light. Combining [...] Read more.
Introduction: Hospital-acquired infections remain a significant healthcare concern due to the persistence of pathogens such as Staphylococcus aureus and Escherichia coli on frequently touched surfaces. Conventional TiO2 coatings are limited to UV activation, which restricts their application under normal indoor light. Combining TiO2 with ZnO and employing green synthesis methods may overcome these limitations. Methodology: Biogenic TiO2 and ZnO nanoparticles were synthesized using Bacillus subtilis under mild aqueous conditions. The nanoparticles were characterized by SEM, XRD, UV-Vis, and FTIR, confirming nanoscale size, crystalline phases, and organic capping. A multilayer TiO2/ZnO coating was fabricated on glass substrates through layer-by-layer deposition. Antibacterial activity was tested against S. aureus and E. coli using disk diffusion, direct contact assays, ROS quantification (FOX assay), and scavenger experiments. Statistical significance was evaluated using ANOVA. Results: The TiO2/ZnO multilayer exhibited superior antibacterial activity under visible light, with inhibition zones of ~15 mm (S. aureus) and ~12 mm (E. coli), significantly outperforming single-component coatings. Direct contact assays confirmed strong bactericidal effects, while scavenger tests verified ROS-mediated mechanisms. FOX assays detected elevated H2O2 generation, correlating with antibacterial performance. Discussion: Synergistic effects of band-gap narrowing, Zn2+ release, and ROS generation enhanced visible-light photocatalysis. The multilayer structure improved light absorption and charge separation, providing higher antimicrobial efficacy than individual oxides. Conclusion: Biogenic TiO2/ZnO multilayers represent a sustainable, visible-light-activated antimicrobial strategy with strong potential for reducing nosocomial infections on hospital surfaces and surgical instruments. Future studies should assess long-term durability and clinical safety. Full article
(This article belongs to the Topic Antimicrobial Agents and Nanomaterials—2nd Edition)
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36 pages, 2307 KB  
Review
Ecological Synthesis of Precious Metal Nanoparticles: Harnessing the Potential of Marine Algae Biomass
by Laura Bulgariu
Nanomaterials 2025, 15(19), 1492; https://doi.org/10.3390/nano15191492 - 30 Sep 2025
Abstract
The synthesis of precious metal nanoparticles (PM-NPs) is an important field of research that has expanded significantly in recent decades due to their numerous applications. Therefore, research has been directed toward developing green methods for the synthesis of such nanoparticles that are simple, [...] Read more.
The synthesis of precious metal nanoparticles (PM-NPs) is an important field of research that has expanded significantly in recent decades due to their numerous applications. Therefore, research has been directed toward developing green methods for the synthesis of such nanoparticles that are simple, safe, eco-friendly, efficient, and sustainable. In this context, the use of marine algae biomass for the green synthesis of PM-NPs can be a viable large-scale alternative, as algae are easy to cultivate, have a rapid growth rate, and are widely distributed across many regions of the globe. The reduction of precious metal ions takes place at the surface of algae biomass particles, and the characteristics of the resulting precious metal nanoparticles depend on the experimental conditions (pH, amount of algae biomass, contact time, etc.), as well as on the type of algae biomass and the speciation form of the metal ions in the solution. All these factors significantly influence the properties of precious metal nanoparticles, and their understanding allows the development of synthesis strategies that can be applied on a large scale. The aim of this review is to provide a comprehensive overview of the way in which PM-NPs can be synthesized using algae biomass. The importance of experimental conditions (such as pH, contact time, amount of biomass, type of algal biomass, temperature, etc.) on the synthesis efficiency, as well as the elementary steps involved in the synthesis, is also discussed in this study. Particular attention has been paid to the analytical methods used for characterizing PM-NPs, as they provide crucial data regarding their structure and composition. These aspects are essential for identifying the practical applications of PM-NPs. Full article
(This article belongs to the Section Environmental Nanoscience and Nanotechnology)
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32 pages, 12724 KB  
Article
Sustainable Synthesis of 1,2-Disubstituted Benzimidazoles as Promising α-Glucosidase Inhibitors: In Vitro and In Silico Evaluation
by Graziella Tocco, Antonio Laus, Cristina Manis, Pierluigi Caboni, Antonella Fais and Benedetta Era
Pharmaceuticals 2025, 18(10), 1469; https://doi.org/10.3390/ph18101469 - 30 Sep 2025
Abstract
Background: Inhibiting α-glucosidase and α-amylase is a well-established strategy for managing postprandial hyperglycemia in type 2 diabetes mellitus. However, the adverse effects of current α-glucosidase inhibitors (α-GIs) underscore the need for safer alternatives. Methods: This study introduces an efficient, metal-free, and environmentally friendly [...] Read more.
Background: Inhibiting α-glucosidase and α-amylase is a well-established strategy for managing postprandial hyperglycemia in type 2 diabetes mellitus. However, the adverse effects of current α-glucosidase inhibitors (α-GIs) underscore the need for safer alternatives. Methods: This study introduces an efficient, metal-free, and environmentally friendly protocol for the selective, high-yield synthesis of 1,2-disubstituted benzimidazoles. The reaction between o-phenylenediamine and various aromatic aldehydes proceeds smoothly in water at room temperature, using cost-effective and eco-friendly catalysts such as acetylsalicylic acid (ASA) or salicylic acid (SA). The methodology exhibits broad versatility, enabled by the use of different o-phenylenediamines and a wide range of aromatic and heteroaromatic aldehydes. Results: Selected compounds were assessed for their inhibitory activity against α-glucosidase and α-amylase. While all exhibited low α-amylase inhibition, several showed significant α-glucosidase inhibition, with compounds 8s (IC50 = 0.39 ± 0.04 μM), 8k (IC50 = 7.4 ± 1.6 μM) and 8r (IC50 = 13.8 ± 2.7 μM) emerging as the most promising candidates. Notably, none of these compounds affected Caco-2 cell viability at concentrations up to 30 μM. Additionally, compounds 8r and 8s exhibited antioxidant properties, which may be relevant in counteracting the excessive production of free radicals associated with diabetes. Preliminary molecular docking and 500 ns molecular dynamics (MD) simulations were carried out on compounds 3k, 8i, 8k, and 8p8s to support and interpret the experimental biological findings qualitatively. Full article
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21 pages, 1141 KB  
Systematic Review
Effects of Nordic Walking on Physical Fitness in Patients with Cancer: A Systematic Review
by Anabel Casanovas-Álvarez, Esther Mur-Gimeno, Jaume Masià Ayala, Carles Fernández-Jané and Raquel Sebio-Garcia
Cancers 2025, 17(19), 3170; https://doi.org/10.3390/cancers17193170 - 29 Sep 2025
Abstract
Background: Despite evidence supporting exercise in cancer care, adherence remains low. Nordic Walking (NW), a pole-assisted outdoor activity, may overcome barriers and improve fitness. However, a comprehensive synthesis of its effects on physical fitness in cancer patients is lacking. Objective: To evaluate NW’s [...] Read more.
Background: Despite evidence supporting exercise in cancer care, adherence remains low. Nordic Walking (NW), a pole-assisted outdoor activity, may overcome barriers and improve fitness. However, a comprehensive synthesis of its effects on physical fitness in cancer patients is lacking. Objective: To evaluate NW’s effects on physical fitness, health-related quality of life (HRQoL), adherence, and safety in patients living with and beyond cancer, compared with no intervention or other exercise programs. Methods: This PRISMA-compliant systematic review and meta-analysis (PROSPERO: CRD42024551608) included randomized or quasi-randomized trials. Five databases were searched through November 2024. Risk of bias (Joanna Briggs Institute) and evidence certainty (GRADE) were assessed. Results: This systematic review included six RCTs comparing NW with no intervention. NW significantly improved overall muscle strength (Std. MD = 0.46, 95%CI:0.14–0.78; low-certainty) and self-reported physical activity (MD = 3181.51 MET-min/week, 95%CI:2085–4278; moderate-certainty). Cardiorespiratory fitness (6-min walk) showed no significant improvement in random-effects modeling (MD = 84.78 m, 95%CI:−35.6–205.19; very low-certainty). HRQoL data were insufficient for meta-analysis. Adherence exceeded 90% in supervised sessions, with no serious intervention-related adverse events. Conclusions: When compared with no intervention NW is feasible and safe, potentially improving muscle strength and physical activity in patients with cancer. Evidence for cardiorespiratory endurance and HRQoL remains inconclusive. To date, no studies have compared NW with other structured exercise programs. Higher-quality RCTs with diverse populations are needed. Full article
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40 pages, 1433 KB  
Review
Epidemiology, Pathogenesis, Clinical Features, and Management of Non-HACEK Gram-Negative Infective Endocarditis
by Roberta Monardo, Rebecka Papaioannu Borjesson, Giacomo Ponta, Antonella Castagna and Marco Ripa
Antibiotics 2025, 14(10), 980; https://doi.org/10.3390/antibiotics14100980 - 29 Sep 2025
Abstract
Background/Objectives: Non-HACEK Gram-Negative Infective Endocarditis (NHGNIE) is a rare but increasingly recognized condition associated with high morbidity and mortality. Its incidence is rising among people who inject drugs (PWID), patients with prosthetic valves or cardiac devices, and those with significant healthcare exposure. We [...] Read more.
Background/Objectives: Non-HACEK Gram-Negative Infective Endocarditis (NHGNIE) is a rare but increasingly recognized condition associated with high morbidity and mortality. Its incidence is rising among people who inject drugs (PWID), patients with prosthetic valves or cardiac devices, and those with significant healthcare exposure. We aimed to provide a comprehensive review of the epidemiology, pathogenesis, diagnosis, clinical features, and management of NHGNIE. Methods: We conducted a narrative synthesis of published cohort studies, case series, guideline documents, and recent registry data addressing NHGNIE. Evidence was extracted and critically appraised with emphasis on epidemiological patterns, microbial etiology, diagnostic frameworks, therapeutic strategies, and outcomes. Special focus was given to pathogen-specific differences and the impact of antimicrobial resistance. Results: NHGNIE accounts for approximately 1.5–10.7% of IE cases worldwide, with marked geographical variability. Pseudomonas aeruginosa, Serratia marcescens, Klebsiella pneumoniae, and Escherichia coli are the predominant pathogens, with clinical profiles differing between younger, PWID-based populations and older, comorbidity-affected cohorts. Advances in molecular diagnostics and imaging have improved case identification, though pathogen-specific diagnostic performance remains limited. Outcomes are poor, with in-hospital mortality up to 41%. Antimicrobial therapy is complicated by biofilm formation and potential for multidrug resistance; evidence for combination therapy versus monotherapy is conflicting. Surgical intervention appears to improve outcomes when performed according to guideline-based indications, but results are heterogeneous across studies. Conclusions: NHGNIE is a clinically significant form of IE with complex epidemiology, diagnostic challenges, and limited evidence to guide treatment. Effective management requires individualized care coordinated within a multidisciplinary “endocarditis team”. Full article
(This article belongs to the Special Issue Advances in Infective Endocarditis Research: From Bench to Bedside)
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26 pages, 633 KB  
Perspective
Pharmacometrics in the Age of Large Language Models: A Vision of the Future
by Elena Maria Tosca, Ludovica Aiello, Alessandro De Carlo and Paolo Magni
Pharmaceutics 2025, 17(10), 1274; https://doi.org/10.3390/pharmaceutics17101274 - 29 Sep 2025
Abstract
Background: Large Language Models (LLMs) have driven significant advances in artificial intelligence (AI), with transformative applications across numerous scientific fields, including biomedical research and drug development. However, despite growing interest in adjacent domains, their adoption in pharmacometrics, a discipline central to model-informed [...] Read more.
Background: Large Language Models (LLMs) have driven significant advances in artificial intelligence (AI), with transformative applications across numerous scientific fields, including biomedical research and drug development. However, despite growing interest in adjacent domains, their adoption in pharmacometrics, a discipline central to model-informed drug development (MIDD), remains limited. This study aims to systematically explore the potential role of LLMs across the pharmacometrics workflow, from data processing to model development and reporting. Methods: We conducted a comprehensive literature review to identify documented applications of LLMs in pharmacometrics. We also analyzed relevant use cases from related scientific domains and structured these insights into a conceptual framework outlining potential pharmacometrics tasks that could benefit from LLMs. Results: Our analysis revealed that studies reporting LLMs in pharmacometrics are few and mainly limited to code generation in general-purpose programming languages. Nonetheless, broader applications are theoretically plausible and technically feasible, including information retrieval and synthesis, data collection and formatting, model coding, PK/PD model development, support to PBPK and QSP modeling, report writing and pharmacometrics education. We also discussed visionary applications such as LLM-enabled predictive modeling and digital twins. However, challenges such as hallucinations, lack of reproducibility, and the underrepresentation of pharmacometrics data in training corpora limit the actual applicability. Conclusions: LLMs are unlikely to replace mechanistic pharmacometrics models but hold great potential as assistive tools. Realizing this potential will require domain-specific fine-tuning, retrieval-augmented strategies, and rigorous validation. A hybrid future, integrating human expertise, traditional modeling, and AI, could define the next frontier for innovation in MIDD. Full article
(This article belongs to the Section Pharmacokinetics and Pharmacodynamics)
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16 pages, 3297 KB  
Article
Effect of High-Temperature Isothermal Annealing on the Structure and Properties of Multicomponent Compact Ti-Al(Nb,Mo,B)-Based Materials Fabricated via Free SHS-Compression
by Pavel Bazhin, Ivan Nazarko, Arina Bazhina, Andrey Chizhikov, Alexander Konstantinov, Artem Ivanov, Mikhail Antipov, Pavel Stolin, Svetlana Agasieva and Varvara Avdeeva
Metals 2025, 15(10), 1088; https://doi.org/10.3390/met15101088 - 29 Sep 2025
Abstract
This study investigates TNM-type titanium aluminide alloys, representing the third generation of β-stabilized γ-TiAl heat-resistant materials. The aim of this work is to study the combustion characteristics and to produce compact materials via the free SHS compaction method from initial powder reagents taken [...] Read more.
This study investigates TNM-type titanium aluminide alloys, representing the third generation of β-stabilized γ-TiAl heat-resistant materials. The aim of this work is to study the combustion characteristics and to produce compact materials via the free SHS compaction method from initial powder reagents taken in the following ratio (wt%): 51.85Ti–43Al–4Nb–1Mo–0.15B, as well as to determine the effect of high-temperature isothermal annealing at 1000 °C on the structure and properties of the obtained materials. Using free SHS compression (self-propagating high-temperature synthesis), we synthesized compact materials from a 51.85Ti–43Al–4Nb–1Mo–0.15B (wt%) powder blend. Key combustion parameters were optimized to maximize the synthesis temperature, employing a chemical ignition system. The as-fabricated materials exhibit a layered macrostructure with wavy interfaces, aligned parallel to material flow during compression. Post-synthesis isothermal annealing at 1000 °C for 3 h promoted further phase transformations, enhancing mechanical properties including microhardness (up to 7.4 GPa), Young’s modulus (up to 200 GPa) and elastic recovery (up to 31.8%). X-ray powder diffraction, SEM, and EDS analyses confirmed solid-state diffusion as the primary mechanism for element interaction during synthesis and annealing. The developed materials show promise as PVD targets for depositing heat-resistant coatings. Full article
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28 pages, 1463 KB  
Article
Strategic Management Knowledge Map via BERTopic (1980–2025): Evolution, Integration, and Application
by Kuei-Kuei Lai, Chih-Wen Hsiao and Yu-Jin Hsu
Appl. Syst. Innov. 2025, 8(5), 142; https://doi.org/10.3390/asi8050142 - 29 Sep 2025
Abstract
Problem: Amid digital disruption and the cross-fertilization of RBV, DCV, and KBV, strategic management knowledge has grown fragmented with blurred boundaries. Conventional mapping (citation/co-word, LDA) lacks semantic and temporal resolution, obscuring overlaps, divergences, and turning points and hindering links to actionable indicators (e.g., [...] Read more.
Problem: Amid digital disruption and the cross-fertilization of RBV, DCV, and KBV, strategic management knowledge has grown fragmented with blurred boundaries. Conventional mapping (citation/co-word, LDA) lacks semantic and temporal resolution, obscuring overlaps, divergences, and turning points and hindering links to actionable indicators (e.g., the Balanced Scorecard). Hence, an integrated, semantically faithful, time-stamped map is needed to bridge research and operational metrics. Gap: Prior maps rely on citation/co-word signals, miss textual meaning, and treat RBV/DCV/KBV in isolation—lacking a theory-aligned, time-stamped, manager-oriented synthesis. Objectives: This study aims to (1) reveal how RBV, DCV, and KBV evolve and interrelate over time; (2) produce an integrated, semantically grounded map; and (3) translate selected themes into actionable managerial indicators. Method: We analyzed 25,907 WoS articles (1980–2025) with BERTopic (Sentence-BERT + UMAP + HDBSCAN + c-TF-IDF). We used an RBV/DCV/KBV lexicon to guide retrieval/interpretation (not to constrain modeling). We discovered 230 topics, retained 33 via coherence (C_V), and benchmarked them against LDA. Key findings: A concise set of 33 high-quality themes with a higher C_V than LDA on this corpus was established. A Fish-Scale view (overlapping subfields across economics, management, sociology) that clarifies RBV–DCV–KBV intersections was achieved. Era-sliced prevalence shows how themes emerge and recombine over 1980–2025. Selected themes mapped to Balanced Scorecard (BSC) indicators linking capabilities → processes → customer outcomes → financial results. Contribution: A clear, time-aware synthesis of RBV–DCV–KBV and a scalable, reproducible pipeline for structuring fragmented theory landscapes are presented in this study—bridging scholarly integration with managerial application via BSC mapping. Full article
(This article belongs to the Topic Social Sciences and Intelligence Management, 2nd Volume)
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46 pages, 7793 KB  
Review
MIL Series in MOFs for the Removal of Emerging Contaminants: Application and Mechanisms
by Yixiang Chen, Yusheng Jiang, Weiping Li, Wei Su, Yi Xing, Shuyan Yu, Wenxin Li, Ying Guo, Duo Zhang, Shanqing Wang, Zhongshan Qian, Chen Hong and Bo Jiang
Inorganics 2025, 13(10), 324; https://doi.org/10.3390/inorganics13100324 - 29 Sep 2025
Abstract
In global economic integration and rapid urbanization, the equilibrium between resource utilization efficiency and ecological preservation is confronted with significant challenges. Emerging contaminants have further exacerbated environmental pressures and posed threats to the ecosystem and human health. Metal–organic frameworks (MOFs) have emerged as [...] Read more.
In global economic integration and rapid urbanization, the equilibrium between resource utilization efficiency and ecological preservation is confronted with significant challenges. Emerging contaminants have further exacerbated environmental pressures and posed threats to the ecosystem and human health. Metal–organic frameworks (MOFs) have emerged as a prominent area of research in ecological remediation, owing to their distinctive porous configuration, substantial specific surface area, and exceptional chemical stability. The Materials Institute Lavoisier (MIL) series (e.g., MIL-53, MIL-88, MIL-100, MIL-101, and MIL-125) has been shown to effectively promote the separation and migration of photogenerated carriers and significantly enhance the degradation of organic contaminants. This property renders it highly promising for the photocatalytic degradation of emerging contaminants. This paper provides a concise overview of the classification, synthesis methods, modification strategies, and application effects of MIL series MOFs in the removal of emerging contaminants. The advantages and limitations of MIL series MOFs in environmental remediation are further analyzed. Particularly, we offer insights and support for innovative strategies in the treatment of emerging contaminants, including POPs, PPCPs, VOCs, and microplastics, contributing to technological innovation and development in environmental remediation. Future development of MOFs includes the optimization of the performance of the MILs, reducing the high synthesis costs of MILs, applying MILs in real-environment scenarios, and accurate detection of degradation products of environmental pollutants. Full article
(This article belongs to the Special Issue Nanocomposites for Photocatalysis, 2nd Edition)
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