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40 pages, 8707 KB  
Review
Interphase-Centric and Mechanism-Driven Advances in Polymer Composites Reinforced with Nano-, Synthetic, and Inorganic Fillers
by Sachin Kumar Sharma, Lokesh Kumar Sharma, Reshab Pradhan, Yogesh Sharma, Mohit Sharma, Sandra Gajević, Lozica Ivanović and Blaža Stojanović
Polymers 2026, 18(3), 323; https://doi.org/10.3390/polym18030323 (registering DOI) - 25 Jan 2026
Abstract
Polymer composites reinforced with nanofillers, synthetic fibers, and inorganic fillers have progressed rapidly, yet recent advances remain fragmented across filler-specific studies and often lack unified mechanistic interpretation. This review addresses this gap by presenting an interphase-centric, mechanism-driven framework linking processing routes, dispersion and [...] Read more.
Polymer composites reinforced with nanofillers, synthetic fibers, and inorganic fillers have progressed rapidly, yet recent advances remain fragmented across filler-specific studies and often lack unified mechanistic interpretation. This review addresses this gap by presenting an interphase-centric, mechanism-driven framework linking processing routes, dispersion and functionalization requirements, interphase formation, and the resulting structure–property relationships. Representative quantitative datasets and mechanistic schematics are integrated to rationalize nonlinear mechanical reinforcement, percolation-controlled electrical/thermal transport, and thermal stabilization and barrier effects across major filler families. The review highlights how reinforcement efficiency is governed primarily by interfacial adhesion, filler connectivity, and processing-induced microstructural evolution rather than filler loading alone. Key challenges limiting scalability are critically discussed, including dispersion reproducibility, viscosity and processability constraints, interphase durability, and recycling compatibility. Finally, mechanism-based design rules and future outlook directions are provided to guide the development of high-performance, multifunctional, and sustainability-oriented polymer composite systems. Full article
(This article belongs to the Special Issue Sustainable and Functional Polymeric Nanocomposites)
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11 pages, 1093 KB  
Article
Influence of Season on Milk Lipid Indices in Simmental and Montbéliarde Cows in Bulgaria
by Toncho Penev, Elena Stancheva, Gergana Bachevska, Dimo Dimov and Krum Nedelkov
Ruminants 2026, 6(1), 8; https://doi.org/10.3390/ruminants6010008 (registering DOI) - 25 Jan 2026
Abstract
The aim of the present study was to evaluate the association between seasonal variation, the temperature–humidity index (THI), and lipid indices related to human health in the milk of Simmental and Montbéliarde cows. The investigation was conducted on a dairy farm located in [...] Read more.
The aim of the present study was to evaluate the association between seasonal variation, the temperature–humidity index (THI), and lipid indices related to human health in the milk of Simmental and Montbéliarde cows. The investigation was conducted on a dairy farm located in Central Southern Bulgaria over a 12-month period and included 100 lactating cows, with equal numbers from each breed, housed in semi-open free-stall barns and fed an unchanged total mixed ration. Monthly measurements of microclimatic parameters (temperature, relative humidity, THI, and air velocity) were conducted throughout the study, and composite milk samples were analyzed for fatty acid composition by gas chromatography. The atherogenic index (AI), thrombogenic index (TI), health-promoting index (HPI), hypo-/hypercholesterolemic index (h/H), desaturase indices (DI16 and DI18), and the UFA/SFA, PUFA/SFA, and MUFA/SFA ratios were calculated based on the fatty acid profile. The results indicate that season has a statistically significant effect on all studied lipid indices (p < 0.001). The Kruskal–Wallis H values ranged from 16.68 for AI to 27.82 for DI18, indicating that seasonal variations in microclimatic conditions significantly influence the lipid metabolism of the cows. The data for the studied lipid indices indicate that the most favorable fat profile for human health was observed in autumn, characterized by lower AI (2.24) and TI (1.26) values and higher HPI (0.45) and h/H (0.76) values. Seasonal variation also affected DI 16 and DI 18, with the most favorable values for humans observed in autumn (DI 16: 4.38; DI 18: 74.39). The ratios of unsaturated to saturated fatty acids (UFA/SFA, PUFA/SFA, and MUFA/SFA) indicate that the milk from the studied farm exhibits the most favorable functional properties in autumn. Full article
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23 pages, 1672 KB  
Review
Field-Evolved Resistance to Bt Cry Toxins in Lepidopteran Pests: Insights into Multilayered Regulatory Mechanisms and Next-Generation Management Strategies
by Junfei Xie, Wenfeng He, Min Qiu, Jiaxin Lin, Haoran Shu, Jintao Wang and Leilei Liu
Toxins 2026, 18(2), 60; https://doi.org/10.3390/toxins18020060 (registering DOI) - 25 Jan 2026
Abstract
Bt Cry toxins remain the cornerstone of transgenic crop protection against Lepidopteran pests, yet field-evolved resistance, particularly in invasive species such as Spodoptera frugiperda and Helicoverpa armigera, can threaten their long-term efficacy. This review presents a comprehensive and unified mechanistic framework that [...] Read more.
Bt Cry toxins remain the cornerstone of transgenic crop protection against Lepidopteran pests, yet field-evolved resistance, particularly in invasive species such as Spodoptera frugiperda and Helicoverpa armigera, can threaten their long-term efficacy. This review presents a comprehensive and unified mechanistic framework that synthesizes current understanding of Bt Cry toxin modes of action and the complex, multilayered regulatory mechanisms of field-evolved resistance. Beyond the classical pore-formation model, emerging evidence highlights signal transduction cascades, immune evasion via suppression of Toll/IMD pathways, and tripartite toxin–host–microbiota interactions that can dynamically modulate protoxin activation and receptor accessibility. Resistance arises from target-site alterations (e.g., ABCC2/ABCC3, Cadherin mutations), altered midgut protease profiles, enhanced immune regeneration, and microbiota-mediated detoxification, orchestrated by transcription factor networks (GATA, FoxA, FTZ-F1), constitutive MAPK hyperactivation (especially MAP4K4-driven cascades), along with preliminary emerging findings on non-coding RNA involvement. Countermeasures now integrate synergistic Cry/Vip pyramiding, CRISPR/Cas9-validated receptor knockouts revealing functional redundancy, Domain III chimerization (e.g., Cry1A.105), phage-assisted continuous evolution (PACE), and the emerging application of AlphaFold3 for structure-guided rational redesign of resistance-breaking variants. Future sustainability hinges on system-level integration of single-cell transcriptomics, midgut-specific CRISPR screens, microbiome engineering, and AI-accelerated protein design to preempt resistance trajectories and secure Bt biotechnology within integrated resistance and pest management frameworks. Full article
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16 pages, 2281 KB  
Article
Pore-Structure Modulation of Macadamia Shell-Derived Hard Carbon for High-Performance Sodium-Ion Battery Anodes
by Xiaoran Wang, Keren Luo, Yanling Zhang and Hao Wu
Processes 2026, 14(3), 419; https://doi.org/10.3390/pr14030419 (registering DOI) - 25 Jan 2026
Abstract
Hard carbon is widely recognized as a viable anode candidate for sodium-ion batteries (SIBs) owing to its electrochemical advantages, yet simultaneously enhancing specific capacity and rate capability, arising from insufficient plateau capacity, remains a long-standing challenge. Herein, we present a strategy for fabricating [...] Read more.
Hard carbon is widely recognized as a viable anode candidate for sodium-ion batteries (SIBs) owing to its electrochemical advantages, yet simultaneously enhancing specific capacity and rate capability, arising from insufficient plateau capacity, remains a long-standing challenge. Herein, we present a strategy for fabricating ZnCl2-modified hard carbon (HCMZ-X) using waste macadamia shells and ZnCl2 as a multifunctional structural modifier through a facile high-temperature carbonization. This approach effectively expands the graphite interlayer spacing to 0.394 nm, reduces microcrystalline size, and induces abundant closed pores, synergistically improving sodium-ion storage kinetics within the hard carbon framework. Mechanistic investigations confirm an “adsorption-intercalation-filling” storage mechanism. Hence, the optimized HCMZ-3 delivers a high reversible capacity of 382.05 mAh g−1 at 0.05 A g−1, with the plateau region contributing approximately 70%, significantly outperforming that of unmodified hard carbon (262.64 mAh g−1). Remarkably, it achieves stable rate performance, delivering 190 mAh g−1 at 1 A g−1, along with excellent cycling stability, retaining over 90% after 500 cycles. By rational pore-structure modulation rather than excessive surface activation, this cost-effective method utilizing agricultural waste and ZnCl2 dual-functional modification partially alleviates the intrinsic energy-density limitation of hard carbon anodes, advancing the development of high-performance, eco-friendly anodes for scalable energy storage systems. Full article
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14 pages, 275 KB  
Article
Decoloniality, Participation, Organisational Democracy, and Self-Management in Post-Apartheid South Africa and the Global South
by Dasarath Chetty, Sheetal Bhoola, Jos Chathukulam, John Moolakkattu and Nolwazi Ngcobo
Soc. Sci. 2026, 15(2), 61; https://doi.org/10.3390/socsci15020061 (registering DOI) - 25 Jan 2026
Abstract
This paper examines how colonial and neoliberal logics have influenced the ideas of self-management, democracy, and participation and how a decolonial perspective might reinterpret them. Although democracy and participation are celebrated in mainstream development discourse, they frequently serve as technologies of control that [...] Read more.
This paper examines how colonial and neoliberal logics have influenced the ideas of self-management, democracy, and participation and how a decolonial perspective might reinterpret them. Although democracy and participation are celebrated in mainstream development discourse, they frequently serve as technologies of control that uphold market rationalities and dependency. The paper presents a conceptual model for comprehending how political and organisational practices in the Global South are both resisted by and limited by these dynamics, drawing on the framework of the colonial matrix of power. With reference to grassroots movements like Abahlali base Mjondolo, which represent alternative democratic logics based on collective self-management and epistemic justice, South Africa is used as a focal case. How gaps in the global architecture of dominance create opportunities for pluriversal futures is further demonstrated by comparative observations from Latin America and other Global South contexts. By (i) exposing the limitations of institutionalised participatory frameworks, (ii) highlighting radical democracy at the grassroots level, and (iii) describing the structural and epistemic prerequisites for significant change, the paper adds to discussions on decolonial political economy. By doing this, it reinterprets participation as a fight for liberating alternatives outside of colonial modernity rather than as inclusion within the status quo. Full article
13 pages, 1249 KB  
Article
Optimization of Efficient Tungsten Extraction Process from Wolframite by Na2CO3 Alkaline Melting
by Yang Zheng, Liwen Zhang, Hailong Bai and Xiaoli Xi
Minerals 2026, 16(2), 126; https://doi.org/10.3390/min16020126 (registering DOI) - 24 Jan 2026
Abstract
Tungsten is a critical metal for advanced industrial applications, yet its supply is challenged by the depletion of high-grade ores. This study presents a comprehensive optimization and mechanistic analysis of the alkaline fusion process for extracting tungsten from wolframite ((Fe,Mn)WO4) using [...] Read more.
Tungsten is a critical metal for advanced industrial applications, yet its supply is challenged by the depletion of high-grade ores. This study presents a comprehensive optimization and mechanistic analysis of the alkaline fusion process for extracting tungsten from wolframite ((Fe,Mn)WO4) using sodium carbonate (Na2CO3). Experimental investigations systematically evaluated the effects of alkali-to-ore ratio, reaction temperature (650–1000 °C), and reaction duration (30–270 min). Optimal conditions were established at a 2:1 Na2CO3-to-ore molar ratio, a reaction temperature of 750 °C, and a holding time of 30 min, achieving a tungsten extraction efficiency exceeding 99.9%. This represents a significant improvement in energy and process efficiency over conventional methods. A novel kinetic analysis reveals a two-stage reaction mechanism, transitioning from a slow, diffusion-controlled solid-state reaction (Ea = 243 kJ/mol) to a rapid, autocatalytic liquid-phase reaction (Ea = 212 kJ/mol) upon the formation of a Na2WO4–Na2CO3 eutectic above approximately 590 °C. The optimal temperature of 750 °C is rationalized as the point that ensures operation within this kinetically favorable liquid-phase regime. Furthermore, a thermochemical analysis of ore impurities indicates that silicon, lead, sulfur, and calcium are effectively sequestered into the slag phase as stable silicates, insoluble lead compounds, and sulfates, highlighting an intrinsic purification benefit. X-ray fluorescence (XRF) and X-ray diffraction (XRD) analyses confirmed minimal residual tungsten in the processed slag. This streamlined process, supported by a robust mechanistic understanding, reduces alkaline consumption, shortens reaction times, and maintains high yields, offering a sustainable and efficient pathway for leveraging declining wolframite resources. Full article
(This article belongs to the Section Mineral Processing and Extractive Metallurgy)
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13 pages, 2043 KB  
Article
Triboelectric Performance of Electrospun PVDF Fibers for Energy Harvesting: A Comparative Study of Boron Nitride (BN) and Reduced Graphene Oxide (rGO) Fillers
by Sunija Sukumaran, Piotr K. Szewczyk and Urszula Stachewicz
Materials 2026, 19(3), 475; https://doi.org/10.3390/ma19030475 (registering DOI) - 24 Jan 2026
Abstract
:The growing demand for smart electronic devices in daily life requires sustainable, renewable energy sources that reliably power portable and wearable systems. Triboelectric nanogenerators (TENGs) have emerged as a promising platform for smart textile-based energy harvesting due to their material versatility and [...] Read more.
:The growing demand for smart electronic devices in daily life requires sustainable, renewable energy sources that reliably power portable and wearable systems. Triboelectric nanogenerators (TENGs) have emerged as a promising platform for smart textile-based energy harvesting due to their material versatility and mechanical compliance. In this work, electrospun poly (vinylidene fluoride) (PVDF) fiber mats incorporating boron nitride (BN) nanoparticles and reduced graphene oxide (rGO) were investigated to elucidate the roles of insulating and conductive nanofillers in governing the structural and electroactive properties of PVDF-based triboelectric materials. Electrospun PVDF mats containing 5 wt.% BN exhibited enhanced β-phase content (82%), attributed to the nucleating effect of BN and strong interfacial interactions between the nanofiller and the PVDF matrix. In contrast, 7 wt.% rGO demonstrated a high electroactive β-phase fraction (81%), arising from filler-induced dipole alignment and enhanced charge transport within the fibrous network. A comparative analysis of BN and rGO highlights filler-driven mechanisms influencing the electroactive phase formation and triboelectric charge generation in PVDF mats. The corresponding triboelectric power density reached 231 μWcm⁻² for the 7 wt.% rGO/PVDF and 281 μWcm² for the 5 wt.% BN/PVDF-based TENGs, providing valuable insights for the rational design of high-performance, flexible triboelectric materials for wearable energy-harvesting applications. Full article
(This article belongs to the Special Issue Advances in Flexible Electronics and Electronic Devices)
27 pages, 2154 KB  
Review
A Review of Pavement Damping Characteristics for Mitigating Tire-Pavement Noise: Material Composition and Underlying Mechanisms
by Maoyi Liu, Wei Duan, Ruikun Dong and Mutahar Al-Ammari
Materials 2026, 19(3), 476; https://doi.org/10.3390/ma19030476 (registering DOI) - 24 Jan 2026
Abstract
The mitigation of traffic noise is essential for the development of sustainable and livable urban environments, a goal that is directly contingent on addressing tire-pavement interaction noise (TPIN) as the dominant acoustic pollutant at medium to high vehicle speeds. This comprehensive review addresses [...] Read more.
The mitigation of traffic noise is essential for the development of sustainable and livable urban environments, a goal that is directly contingent on addressing tire-pavement interaction noise (TPIN) as the dominant acoustic pollutant at medium to high vehicle speeds. This comprehensive review addresses a critical gap in the literature by systematically analyzing the damping properties of pavement systems through a unified, multi-scale framework—from the molecular-scale viscoelasticity of asphalt binders to the composite performance of asphalt mixtures. The analysis begins by synthesizing state-of-the-art testing and characterization methodologies, which establish a clear connection between macroscopic damping performance and the underlying viscoelastic mechanisms coupled with the microscopic morphology of the binders. Subsequently, the review critically assesses the influence of critical factors, such as polymer modifiers including rubber and Styrene-Butadiene-Styrene (SBS), temperature, and loading frequency. This examination elucidates how these variables govern molecular mobility and relaxation processes to ultimately determine damping efficacy. A central and synthesizing conclusion emphasizes the paramount importance of the asphalt binder’s properties, which serve as the primary determinant of the composite mixture’s overall acoustic performance. By delineating this structure-property-performance relationship across different scales, the review consolidates a foundational scientific framework to guide the rational design and informed material selection for next-generation asphalt pavements. The insights presented not only advance the fundamental understanding of damping mechanisms in pavement materials but also provide actionable strategies for creating quieter and more sustainable transportation infrastructures. Full article
(This article belongs to the Section Construction and Building Materials)
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23 pages, 8494 KB  
Article
Fabricating Zein-OSA Starch Complexes as Multifunctional Carriers for Carrot Oil
by Lei Chen, Bin Li, Zhanhang Ye, Yexin Shen, Hui Teng and Yanan Zhao
Foods 2026, 15(3), 435; https://doi.org/10.3390/foods15030435 (registering DOI) - 24 Jan 2026
Abstract
This study tackles the stabilization and delivery challenges of oxidation-prone carrot oil by engineering tailored Zein-OSA starch hybrid complexes. The influence of complex mass ratios (1:2, 1:1, 2:1) on key structural, colloidal, and functional properties was meticulously evaluated. The complexes were analyzed through [...] Read more.
This study tackles the stabilization and delivery challenges of oxidation-prone carrot oil by engineering tailored Zein-OSA starch hybrid complexes. The influence of complex mass ratios (1:2, 1:1, 2:1) on key structural, colloidal, and functional properties was meticulously evaluated. The complexes were analyzed through spectroscopy, thermal methods, and microscopy. Derived emulsions were assessed for stability under environmental stresses (pH, salts, storage), alongside their rheological behavior and aroma retention. The 1:1 complex emerged with optimal molecular compatibility, thermal stability, and barrier properties. In emulsions, the 1:2 formulation provided the most uniform droplets and superior salt tolerance, while the 1:1 ratio yielded the best pH stability. All emulsions were shear-thinning. Microencapsulation effectively converted the emulsion into a stable, free-flowing powder. This work demonstrates a rational approach to designing robust plant-based delivery systems for protecting and improving the functionality of sensitive lipophilic ingredients in practical applications. Full article
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15 pages, 9622 KB  
Article
Plasticizer-Driven Modulation of Processability and Performance in HME-Based Filaments and FDM 3D-Printed Tablets
by Sangmin Lee, Hye Jin Park and Dong Wuk Kim
J. Compos. Sci. 2026, 10(2), 61; https://doi.org/10.3390/jcs10020061 (registering DOI) - 24 Jan 2026
Abstract
This study investigated the effects of different types and ratios of plasticizers on the fabrication and properties of hot-melt-extruded filaments and fused deposition modeling (FDM) three-dimensional printed tablets containing theophylline (THEO). Polyethylene glycol (PEG) 1500 and stearic acid (SA) were used as plasticizers [...] Read more.
This study investigated the effects of different types and ratios of plasticizers on the fabrication and properties of hot-melt-extruded filaments and fused deposition modeling (FDM) three-dimensional printed tablets containing theophylline (THEO). Polyethylene glycol (PEG) 1500 and stearic acid (SA) were used as plasticizers to prepare THEO-loaded filaments in a hydroxypropyl cellulose matrix via hot melt extrusion (HME), which were subsequently fabricated into tablets using an FDM 3D printer. The physicochemical properties of the filaments and printed tablets were evaluated using scanning electron microscopy, X-ray powder diffraction, and Fourier transform infrared spectroscopy. Drug release behavior was assessed using four tablet formulations (T1–T4) with different plasticizer types and ratios. All fabricated filaments exhibited sufficient hardness and flexibility for reliable 3D printing, and solid-state analyses confirmed partial molecular dispersion of THEO within the polymer matrix. In dissolution studies, PEG-containing formulations showed faster drug release than SA-based formulations, while all 3D-printed tablets achieved approximately 80% drug release within 6 h. Overall, this study demonstrates that the combined use of HME and FDM-based 3D printing, together with rational plasticizer selection, enables the development of personalized pharmaceutical tablets with tunable immediate and sustained drug release profiles. Full article
(This article belongs to the Section Polymer Composites)
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23 pages, 1948 KB  
Review
The DNA Methylation–Autophagy Axis: A Driver of MSC Fate Imbalance in Skeletal Aging and Osteoporosis
by Gaojie Song, Xingnuan Li, Jianjun Xiong and Lingling Cheng
Biology 2026, 15(3), 218; https://doi.org/10.3390/biology15030218 (registering DOI) - 24 Jan 2026
Abstract
Age-related osteoporosis is driven in part by senescence-associated rewiring of bone marrow mesenchymal stem cells (MSCs) from osteogenic toward adipogenic fates. Accumulating evidence indicates that epigenetic drift and reduced autophagy are not isolated lesions but are mechanistically coupled through a bidirectional DNA methylation [...] Read more.
Age-related osteoporosis is driven in part by senescence-associated rewiring of bone marrow mesenchymal stem cells (MSCs) from osteogenic toward adipogenic fates. Accumulating evidence indicates that epigenetic drift and reduced autophagy are not isolated lesions but are mechanistically coupled through a bidirectional DNA methylation and autophagy axis. Here, we summarize how promoter hypermethylation of genes involved in autophagy and osteogenesis suppresses autophagic flux and osteoblast lineage transcriptional programs. Conversely, autophagy insufficiency reshapes the methylome by limiting methyl donor availability, most notably S-adenosylmethionine (SAM), and by reducing the turnover of key epigenetic regulators, including DNA methyltransferases (DNMTs), ten-eleven translocation (TET) dioxygenases, and histone deacetylases (HDACs). This self-reinforcing circuitry exacerbates mitochondrial dysfunction, oxidative stress, and inflammation driven by the senescence-associated secretory phenotype (SASP), thereby stabilizing adipogenic bias and progressively impairing marrow niche homeostasis and bone remodeling. We further discuss therapeutic strategies to restore balance within this axis, including selective modulation of epigenetic enzymes; activation of AMP-activated protein kinase (AMPK) and mechanistic target of rapamycin (mTOR) signaling with downstream engagement of Unc-51-like autophagy-activating kinase 1 (ULK1) and transcription factor EB (TFEB); targeting sirtuin pathways; mitochondria- and autophagy-supportive natural compounds; and bone-targeted delivery approaches or rational combination regimens. Full article
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22 pages, 9173 KB  
Article
Three-Dimensional Model Reconstruction and Layout Optimization in Virtual Museums Using Spatial Intelligence Algorithms: An Analysis of User Visual Impact
by Shuo Zhu, Ying Li, Ye Tang and Heng Yuan
Appl. Sci. 2026, 16(3), 1196; https://doi.org/10.3390/app16031196 - 23 Jan 2026
Abstract
Digital technology has facilitated substantial progress in the development and implementation of virtual museums. Despite these advancements, current virtual museums continue to face challenges in spatial layout and information presentation, including limited exhibit hierarchy, inefficient spatial organization, low information display efficiency, and sub-optimal [...] Read more.
Digital technology has facilitated substantial progress in the development and implementation of virtual museums. Despite these advancements, current virtual museums continue to face challenges in spatial layout and information presentation, including limited exhibit hierarchy, inefficient spatial organization, low information display efficiency, and sub-optimal visual experiences. To address these challenges, spatial intelligence algorithms are utilized to reconstruct three-dimensional models of selected cultural relics for scene creation and to optimize the spatial layout of virtual museum exhibits. The layout optimization approach considers both symmetrical and asymmetrical arrangements, as well as visual hierarchy and information density. This approach aims to establish a more complex exhibit hierarchy, rational spatial organization, and enhanced visual information display. Comparative experiments and analyses of the visual impact from symmetrical layout optimization, along with other spatial layout optimizations, are conducted. User evaluations and eye-tracking experiments indicate that spatial intelligence-optimized algorithms improve both spatial layout and information display in virtual museums, leading to a more positive user visual experience. Full article
(This article belongs to the Topic 3D Documentation of Natural and Cultural Heritage)
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28 pages, 1484 KB  
Article
Rational Design, Synthesis, and Molecular Docking of Novel Terpene Analogues of Imatinib, and Their Inhibition on Downstream BCR-ABL Signaling
by Rositsa Mihaylova, Asine Dailova-Barzeva, Irena Philipova, Georgi Momekov, Irini Doytchinova, Mariyana Atanasova and Georgi Stavrakov
Pharmaceuticals 2026, 19(2), 198; https://doi.org/10.3390/ph19020198 - 23 Jan 2026
Abstract
Background/Objectives: Imatinib, the first tyrosine kinase inhibitor, marks the beginning of a revolution in clinical oncology. Disrupting oncogenic kinase-dependent signaling pathways represents a key strategy for advancing targeted cancer therapies. Terpene analogues of imatinib were developed to probe the influence of terminal ring [...] Read more.
Background/Objectives: Imatinib, the first tyrosine kinase inhibitor, marks the beginning of a revolution in clinical oncology. Disrupting oncogenic kinase-dependent signaling pathways represents a key strategy for advancing targeted cancer therapies. Terpene analogues of imatinib were developed to probe the influence of terminal ring modifications on BCR-ABL inhibition and downstream oncogenic signaling. Methods: Nine novel imatinib analogues bearing bulky aliphatic moieties were designed, synthesised, and structurally characterized by 1H/13C NMR spectroscopy and high-resolution mass spectrometry (HRMS). Molecular docking calculations were performed to assess the binding modes and intermolecular interactions. The cytotoxicity of the newly synthesized imatinib derivatives was evaluated across a panel of BCR-ABL+ leukemia cell lines. Results: Molecular docking analyses demonstrated conserved interactions within the ATP-binding site of BCR-ABL for all derivatives, with calculated docking scores ranging between 123 and 128, while modifications at the terminal ring introduced subtle changes in electrostatic and steric profiles. Biological evaluation using MTT-based cytotoxicity assays in BCR-ABL+ leukemic cell lines revealed enhanced antiproliferative activity compared with imatinib, with compounds 6a (flexible cyclohexyl) and 6d (rigid camphane-type (+)-isopinocampheyl) exhibiting the lowest micromolar activity in the AR-230 model (IC50 values of 1.1 and 1.2 μM, respectively). Proteome-wide phosphokinase profiling demonstrated shared suppression of STAT5/3/6, RSK1/2, S6K1/p70, and Pyk2, confirming effective disruption of canonical BCR-ABL pathways. Critically, the terpene moiety dictated downstream pathway bias: 6a preferentially attenuated CREB activation, whereas 6d more effectively suppressed the PI3K/Akt oncogenic axis and strongly activated proapoptotic p53-mediated stress responses. Conclusions: Our findings establish terpene-engineered imatinib analogues as tunable modulators and promising candidates for targeting downstream BCR-ABL signaling pathways in leukemia treatment. Full article
(This article belongs to the Special Issue Targeting Enzymes in Drug Design and Discovery)
32 pages, 3916 KB  
Review
From Porphyrinic MOFs and COFs to Hybrid Architectures: Design Principles for Photocatalytic H2 Evolution
by Maria-Chrysanthi Kafentzi, Grigorios Papageorgiou and Kalliopi Ladomenou
Inorganics 2026, 14(2), 32; https://doi.org/10.3390/inorganics14020032 - 23 Jan 2026
Abstract
Solar-driven hydrogen production via photocatalytic water splitting represents a promising route toward sustainable and low-carbon energy systems. Among emerging photocatalysts, porphyrin-based framework materials, specifically porphyrinic metal–organic frameworks (PMOFs) and porphyrinic covalent organic frameworks (PCOFs), have attracted increasing attention owing to their strong visible-light [...] Read more.
Solar-driven hydrogen production via photocatalytic water splitting represents a promising route toward sustainable and low-carbon energy systems. Among emerging photocatalysts, porphyrin-based framework materials, specifically porphyrinic metal–organic frameworks (PMOFs) and porphyrinic covalent organic frameworks (PCOFs), have attracted increasing attention owing to their strong visible-light absorption, tunable electronic structures, permanent porosity, and well-defined catalytic architectures. In these systems, porphyrins function as versatile photosensitizers whose photophysical properties can be precisely tailored through metalation, peripheral functionalization, and integration into ordered frameworks. This review provides a comprehensive, design-oriented overview of recent advances in PMOFs, PCOFs, and hybrid porphyrinic architectures for photocatalytic H2 evolution. We discuss key structure–activity relationships governing light harvesting, charge separation, and hydrogen evolution kinetics, with particular emphasis on the roles of porphyrin metal centers, secondary building units, linker functionalization, framework morphology, and cocatalyst integration. Furthermore, we highlight how heterojunction engineering through coupling porphyrinic frameworks with inorganic semiconductors, metal sulfides, or single-atom catalytic sites can overcome intrinsic limitations related to charge recombination and limited spectral response. Current challenges, including long-term stability, reliance on noble metals, and scalability, are critically assessed. Finally, future perspectives are outlined, emphasizing rational molecular design, earth-abundant catalytic motifs, advanced hybrid architectures, and data-driven approaches as key directions for translating porphyrinic frameworks into practical photocatalytic hydrogen-generation technologies. Full article
(This article belongs to the Section Inorganic Materials)
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17 pages, 2175 KB  
Article
Efficient Degradation of Monoacylglycerols by an Engineered Aspergillus oryzae Lipase: Synergistic Effects of sfGFP Fusion and Rational Design
by Yuqing Wang, Fang Liu, Yuxi Tian, Jiazhen Sun, Dawei Liu, Fei Li, Yaping Wang and Ben Rao
Molecules 2026, 31(3), 398; https://doi.org/10.3390/molecules31030398 - 23 Jan 2026
Abstract
Monoacylglycerols (MAGs) are significant intermediate byproducts in the hydrolysis of oils and fats. The accumulation of MAGs not only reduces the quality and purity of the final products in biodiesel production and edible oil refining but also poses challenges for downstream separation processes. [...] Read more.
Monoacylglycerols (MAGs) are significant intermediate byproducts in the hydrolysis of oils and fats. The accumulation of MAGs not only reduces the quality and purity of the final products in biodiesel production and edible oil refining but also poses challenges for downstream separation processes. Therefore, the development of efficient biocatalysts for the specific MAG conversion is of great industrial importance. The lipase from Aspergillus oryzae (AOL) has shown potential for lipid modification; however, the wild-type enzyme (WT) suffers from poor solubility, tendency to aggregate, and low specific activity towards MAGs in aqueous systems, which severely restricts its practical application. In this study, a combinatorial protein engineering strategy was employed to overcome these limitations. We integrated fusion protein technology with rational design to enhance both the functional expression and catalytic efficiency of AOL. Firstly, the superfolder green fluorescent protein (sfGFP) was fused to the N-terminus of AOL. The results indicated that the sfGFP fusion tag significantly improved the solubility and stability of the enzyme, preventing the formation of inclusion bodies. The fusion protein sfGFP-AOL exhibited a MAG conversion rate of approximately 65%, confirming the positive impact of the fusion tag on enzyme developability. To further boost catalytic performance, site-directed mutagenesis was performed based on structural analysis. Among the variants, the mutant sfGFP-Y92Q emerged as the most potent candidate. In the MAG conversion, sfGFP-Y92Q achieved a conversion rate of 98%, which was not only significantly higher than that of sfGFP-AOL but also outperformed the widely used commercial immobilized lipase, Novozym 435 (~54%). Structural modeling and docking analysis revealed that the Y92Q mutation optimized the geometry of the active site. The substitution of Tyrosine with Glutamine at position 92 likely enlarged the substrate-binding pocket and altered the local electrostatic environment, thereby relieving steric hindrance and facilitating the access of the bulky MAG substrate to the catalytic center. In conclusion, this work demonstrates that the synergistic application of sfGFP fusion and rational point mutation (Y92Q) can dramatically transform the catalytic properties of AOL. The engineered sfGFP-Y92Q variant serves as a robust and highly efficient biocatalyst for MAG degradation. Its superior performance compared to commercial standards suggests immense potential for cost-effective applications in the bio-manufacturing of high-purity fatty acids and biodiesel, offering a greener alternative to traditional chemical processes. Full article
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