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Search Results (15,247)

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28 pages, 1270 KB  
Review
Metabolic Regulation of Ferroptosis in Breast Cancer
by Natalija Glibetic and Michael Weichhaus
Int. J. Mol. Sci. 2025, 26(19), 9686; https://doi.org/10.3390/ijms26199686 (registering DOI) - 4 Oct 2025
Abstract
Breast cancer, a leading global malignancy, exhibits extensive metabolic reprogramming that drives tumorigenesis, therapy resistance, and survival. Ferroptosis, an iron-dependent regulated cell death mechanism characterized by lipid peroxidation, emerges as a promising therapeutic vulnerability, particularly in aggressive subtypes like triple-negative breast cancer (TNBC). [...] Read more.
Breast cancer, a leading global malignancy, exhibits extensive metabolic reprogramming that drives tumorigenesis, therapy resistance, and survival. Ferroptosis, an iron-dependent regulated cell death mechanism characterized by lipid peroxidation, emerges as a promising therapeutic vulnerability, particularly in aggressive subtypes like triple-negative breast cancer (TNBC). This literature review comprehensively explores the metabolic regulation of ferroptosis in breast cancer cells, focusing on how dysregulated pathways modulate sensitivity or resistance. The review will discuss iron homeostasis, including upregulated transferrin receptor 1 (TFR1), diminished ferroportin, mitochondrial dynamics, and ferritinophagy, which catalyze ROS via Fenton reactions. It will examine glutathione (GSH) metabolism through the GPX4-GSH axis, with subtype-specific reliance on cystine import via xCT or de novo cysteine synthesis. Lipid metabolism will be analyzed as the core battleground, highlighting polyunsaturated fatty acid (PUFA) incorporation by ACSL4 promoting peroxidation, contrasted with monounsaturated fatty acid (MUFA) protection via SCD1, alongside subtype adaptations. Further, the review will address tumor microenvironment influences, such as cysteine supply from cancer-associated fibroblasts and oleic acid from adipocytes. Oncogenic signaling (e.g., RAS, mTOR) and tumor suppressors (e.g., p53) will be evaluated for their roles in resistance or sensitivity. Intersections with glucose metabolism (Warburg effect) and selenium-dependent antioxidants will be explored. Therapeutically, the review will consider targeting these nodes with GPX4 inhibitors or iron overload, synergized with immunotherapy for immunogenic cell death. Future directions will emphasize multi-omics integration and patient-derived organoids to uncover subtype-specific strategies for precision medicine in breast cancer. Full article
16 pages, 4003 KB  
Article
Study on Decarburization Behavior in BOF Steelmaking Based on Multi-Zone Reaction Mechanism
by Zicheng Xin, Wenhui Lin, Jiangshan Zhang and Qing Liu
Materials 2025, 18(19), 4599; https://doi.org/10.3390/ma18194599 - 3 Oct 2025
Abstract
In this study, the decarburization behavior in basic oxygen furnace (BOF) steelmaking was investigated based on the multi-zone reaction mechanism. The contributions of the main reaction zones to decarburization were clarified, and the effects of key factors—including the effective reaction amount in the [...] Read more.
In this study, the decarburization behavior in basic oxygen furnace (BOF) steelmaking was investigated based on the multi-zone reaction mechanism. The contributions of the main reaction zones to decarburization were clarified, and the effects of key factors—including the effective reaction amount in the main reaction zones, the post combustion ratio (PCR) in auxiliary reaction zones, and the carbon content of scrap steel—on decarburization behavior were quantitatively analyzed. The results indicate that decarburization predominantly occurs in the jet impact reaction zone (approximately 76% of the total decarburization), followed by the emulsion and metal droplet reaction zone (approximately 14%) and the bulk metal and slag reaction zone (approximately 10%). Variations in the effective reaction amount for the main reaction zones significantly affect both the decarburization rate and the endpoint carbon content, with the direct oxidation decarburization reaction in the jet impact reaction zone being the dominant factor. In addition, the PCR in the gas homogenization zone of the auxiliary reaction zones determines the distribution ratio of effective reaction oxygen, while the melting behavior of scrap steel in the metal homogenization zone plays a critical role in the precise control of the endpoint carbon content. This study provides a quantitative elucidation of the effects of different reaction zones on decarburization behavior, offering a foundation for the precise control of endpoint carbon content in BOF steelmaking. Full article
(This article belongs to the Section Manufacturing Processes and Systems)
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17 pages, 1344 KB  
Article
Electrochemical and Spectroelectrochemical Studies on Oxygen Reduction Mediated by Cu(II) Complexes Containing the Alkylamine Ligand N,N-Dimethylethylendiamine
by Omar Monsalvo Zúñiga, Angel Mendoza, Marisela Cruz-Ramírez, Lillian G. Ramírez-Palma, Juan Pablo F. Rebolledo-Chávez and Luis Ortiz-Frade
Catalysts 2025, 15(10), 951; https://doi.org/10.3390/catal15100951 - 3 Oct 2025
Abstract
In this study, Cu(II) complexes containing the bidentate ligand N,N-dimethylethylendiamine (dmen), i.e., [CuII(dmen)2(CH3COO)2], [CuII(dmen)2(NO3)2], and [CuII(dmen)2Cl2], were developed to explore molecular [...] Read more.
In this study, Cu(II) complexes containing the bidentate ligand N,N-dimethylethylendiamine (dmen), i.e., [CuII(dmen)2(CH3COO)2], [CuII(dmen)2(NO3)2], and [CuII(dmen)2Cl2], were developed to explore molecular catalysis for the oxygen reduction reaction (ORR). Cyclic voltammetry and UV–vis spectroelectrochemical and electrochemical impedance spectroscopy experiments were performed in the absence and presence of oxygen. The UV–vis spectroscopy results suggested that the aforementioned Cu(II) complexes present an octahedral geometry in the solid state; meanwhile, they show a square pyramidal geometry in an aqueous solution. It is proposed that the chemical species [CuI(dmen)2H2O]+ reacts with O2, exhibiting an outer-sphere electron transfer mechanism. The same UV–vis spectroelectrochemical response obtained with and without O2 indicated a direct electron transfer from Cu(II) to Cu(I), with the regeneration of catalyst and the absence of other intermediate species. Among the reported compounds, [Cu(dmen)2(NO3)2] exhibited the highest catalytic rate (TOF = 1.3 × 104 s−1). The impedance spectroscopy results showed that the resistance charge transfer (Rct) of the redox pair CuII|CuI decreased in the presence of O2 from 36.391 kΩ to 5.54 kΩ. For a better understanding of the effect of aliphatic amines on the ORR, a comparison with the complex [Cu(1,10-phen)2NO3]NO3 is also presented. Full article
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28 pages, 11514 KB  
Article
Effects of Carbon–Magnesium Reactions on the Physical and Mechanical Properties of Lightweight Carbonated Stabilized Soil
by Li Shao, Wangcheng Yu, Qinglong You, Suran Wang, Xi Du, Bin He, Shichao Tao, Honghui Ding and Chao Bao
Buildings 2025, 15(19), 3571; https://doi.org/10.3390/buildings15193571 - 3 Oct 2025
Abstract
Global urbanization has led to massive generation of high-water-content waste slurry, creating serious environmental challenges. Conventional treatment methods are costly and unsustainable, while cement-based foamed lightweight soils typically exhibit low strength and limited CO2 sequestration. To address this issue, this study proposes [...] Read more.
Global urbanization has led to massive generation of high-water-content waste slurry, creating serious environmental challenges. Conventional treatment methods are costly and unsustainable, while cement-based foamed lightweight soils typically exhibit low strength and limited CO2 sequestration. To address this issue, this study proposes a novel stabilization pathway by integrating a MgO–mineral powder–carbide slag composite binder with CO2 foaming–carbonation. The approach enables simultaneous slurry lightweighting, strength enhancement, and CO2 fixation. A series of laboratory tests were conducted to evaluate flowability, density, compressive strength, and deformation characteristics of the carbonated lightweight stabilized slurry. Microstructural analyses, including SEM and XRD, were used to reveal the formation of carbonate phases and pore structures. The results showed that MgO content strongly promoted carbonation, leading to denser microstructures and higher strength, while mineral powder and carbide slag optimized workability and pore stability. Orthogonal testing indicated that a mix with 25% mineral powder, 12.5% MgO, and 7.5% carbide slag achieved the best performance, with unconfined compressive strength up to 0.48 MPa after carbonation. Compared with conventional cement- or GGBS-based foamed lightweight soils, the proposed system exhibits superior strength development, improved pore stability, and enhanced CO2 sequestration potential. These findings demonstrate the feasibility of recycling high-water-content waste slurry into value-added construction materials while contributing to carbon reduction targets. This study not only provides a sustainable solution for waste slurry management but also offers new insights into the integration of CO2 mineralization into geotechnical engineering practice. Full article
(This article belongs to the Section Building Materials, and Repair & Renovation)
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25 pages, 9362 KB  
Review
In Situ Raman Spectroscopy Reveals Structural Evolution and Key Intermediates on Cu-Based Catalysts for Electrochemical CO2 Reduction
by Jinchao Zhang, Honglin Gao, Zhen Wang, Haiyang Gao, Li Che, Kunqi Xiao and Aiyi Dong
Nanomaterials 2025, 15(19), 1517; https://doi.org/10.3390/nano15191517 - 3 Oct 2025
Abstract
Electrochemical CO2 reduction reaction (CO2RR) is a key technology for achieving carbon neutrality and efficient utilization of renewable energy, capable of converting CO2 into high-value-added carbon-based fuels and chemicals. Copper (Cu)-based catalysts have attracted significant attention due to their [...] Read more.
Electrochemical CO2 reduction reaction (CO2RR) is a key technology for achieving carbon neutrality and efficient utilization of renewable energy, capable of converting CO2 into high-value-added carbon-based fuels and chemicals. Copper (Cu)-based catalysts have attracted significant attention due to their unique performance in generating multi-carbon (C2+) products such as ethylene and ethanol; however, there are still many controversies regarding their complex reaction mechanisms, active sites, and the dynamic evolution of intermediates. In situ Raman spectroscopy, with its high surface sensitivity, applicability in aqueous environments, and precise detection of molecular vibration modes, has become a powerful tool for studying the structural evolution of Cu catalysts and key reaction intermediates during CO2RR. This article reviews the principles of electrochemical in situ Raman spectroscopy and its latest developments in the study of CO2RR on Cu-based catalysts, focusing on its applications in monitoring the dynamic structural changes of the catalyst surface (such as Cu+, Cu0, and Cu2+ oxide species) and identifying key reaction intermediates (such as *CO, *OCCO(*O=C-C=O), *COOH, etc.). Numerous studies have shown that Cu-based oxide precursors undergo rapid reduction and surface reconstruction under CO2RR conditions, resulting in metallic Cu nanoclusters with unique crystal facets and particle size distributions. These oxide-derived active sites are considered crucial for achieving high selectivity toward C2+ products. Time-resolved Raman spectroscopy and surface-enhanced Raman scattering (SERS) techniques have further revealed the dynamic characteristics of local pH changes at the electrode/electrolyte interface and the adsorption behavior of intermediates, providing molecular-level insights into the mechanisms of selectivity control in CO2RR. However, technical challenges such as weak signal intensity, laser-induced damage, and background fluorescence interference, and opportunities such as coupling high-precision confocal Raman technology with in situ X-ray absorption spectroscopy or synchrotron radiation Fourier transform infrared spectroscopy in researching the mechanisms of CO2RR are also put forward. Full article
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16 pages, 1827 KB  
Article
Preparation and Properties of Micron Near-Spherical Alumina Powders from Hydratable Alumina with Ammonium Fluoroborate
by Yi Wei, Jie Xu, Jie Jiang, Tairong Lu and Zuohua Liu
Materials 2025, 18(19), 4589; https://doi.org/10.3390/ma18194589 - 2 Oct 2025
Abstract
Micron-sized near-spherical α-Al2O3 powders are widely used as thermal fillers due to their high thermal conductivity, high packing density, good flowability, and low cost. During the high-temperature calcination, the resulting α-Al2O3 powders often exhibit an aggregated worm-like [...] Read more.
Micron-sized near-spherical α-Al2O3 powders are widely used as thermal fillers due to their high thermal conductivity, high packing density, good flowability, and low cost. During the high-temperature calcination, the resulting α-Al2O3 powders often exhibit an aggregated worm-like morphology owing to limitations in solid-state mass transfer. Researchers have employed various mineralizers to regulate the morphology of α-Al2O3 powders; however, the preparation of micron-sized highly spherical α-Al2O3 powders via solid-state calcination is still a great challenge. In this work, micron-sized near-spherical α-Al2O3 powders were synthesized through high-temperature calcination using hydratable alumina (ρ-Al2O3) as precursor with water-soluble mineralizer ammonium fluoroborate (NH4BF4). ρ-Al2O3 can undergo a hydration reaction with water to form AlO(OH) and Al(OH)3 intermediates, serving as an excellent precursor. With the addition of 0.1 wt% NH4BF4, the product exhibits an optimal near-spherical morphology. Excessive addition (>0.2wt%), however, significantly promotes the transformation of α-Al2O3 from a near-spherical to a plate-like structure. Further studies reveal that the introduction of NH4BF4 not only modulates the crystal morphology but also effectively reduces the content of sodium impurities in the powder through a high-temperature volatilization mechanism, thereby enhancing the thermal conductivity of the powder. It is shown that the thermal conductivity of the micron-sized α-Al2O3/ epoxy resin composites reaches 1.329 ± 0.009 W/(m·K), which is 7.4 times that of pure epoxy resin. Full article
(This article belongs to the Section Metals and Alloys)
20 pages, 12909 KB  
Article
Corrosion Behavior and Failure Mechanism of (Sm0.2Gd0.2Dy0.2Er0.2Yb0.2)2(Zr0.7Hf0.3)2O7 Double-Ceramic Thermal Barrier Coatings in Na2SO4 + V2O5 Environment
by Chunman Wang, Hao Mei, Yong Shang, Xunxun Hu, Huidong Wu, Haiyuan Yu, Keke Chang, Jian Sun, Guanghua Liu, Guijuan Zhou, Chunlei Wan and Shengkai Gong
Coatings 2025, 15(10), 1147; https://doi.org/10.3390/coatings15101147 - 2 Oct 2025
Abstract
To meet gas turbines’ growing demand for high-performance thermal barrier coatings (TBCs), this study addresses the limitations of traditional single-layer 8% Y2O3-stabilized ZrO2 (YSZ) coatings in high-temperature corrosive environments. Atmospheric plasma spraying (APS) was used to fabricate the [...] Read more.
To meet gas turbines’ growing demand for high-performance thermal barrier coatings (TBCs), this study addresses the limitations of traditional single-layer 8% Y2O3-stabilized ZrO2 (YSZ) coatings in high-temperature corrosive environments. Atmospheric plasma spraying (APS) was used to fabricate the double-ceramic TBCs with (Sm0.2Gd0.2Dy0.2Er0.2Yb0.2)2(Zr0.7Hf0.3)2O7 (RHZ) as the outer layer and YSZ as the inner layer; thermal cycling corrosion tests (1000 °C, Na2SO4 + V2O5 molten salt) were conducted to compare its performance with traditional single-layer YSZ. The results showed that the YSZ corrosion products were m-ZrO2 and YVO4, while RHZ/YSZ produced rare-earth vanadates, m-(Zr,Hf)O2, and t′-(Zr,Hf)O2, and corrosion degree was positively correlated with salt concentration (which was more impactful) and the number of cycles. Both coatings failed via molten salt penetration, thermochemical reaction, and crack-induced spallation. The corrosion mechanism between the RHZ/YSZ coating and the mixed salt can be explained based on the Lewis acid–base theory and the optical basicity. The RHZ layer on the surface of RHZ/YSZ coatings indeed hinders the penetration of corrosive molten salts into the underlying YSZ layer to some extent. Full article
(This article belongs to the Section Corrosion, Wear and Erosion)
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51 pages, 7206 KB  
Review
Engineering Photocatalytic Membrane Reactors for Sustainable Energy and Environmental Applications
by Ruofan Xu, Shumeng Qin, Tianguang Lu, Sen Wang, Jing Chen and Zuoli He
Catalysts 2025, 15(10), 947; https://doi.org/10.3390/catal15100947 - 2 Oct 2025
Abstract
Photocatalytic membrane reactors (PMRs), which combine photocatalysis with membrane separation, represent a pivotal technology for sustainable water treatment and resource recovery. Although extensive research has documented various configurations of photocatalytic-membrane hybrid processes and their potential in water treatment applications, a comprehensive analysis of [...] Read more.
Photocatalytic membrane reactors (PMRs), which combine photocatalysis with membrane separation, represent a pivotal technology for sustainable water treatment and resource recovery. Although extensive research has documented various configurations of photocatalytic-membrane hybrid processes and their potential in water treatment applications, a comprehensive analysis of the interrelationships among reactor architectures, intrinsic physicochemical mechanisms, and overall process efficiency remains inadequately explored. This knowledge gap hinders the rational design of highly efficient and stable reactor systems—a shortcoming that this review seeks to remedy. Here, we critically examine the connections between reactor configurations, design principles, and cutting-edge applications to outline future research directions. We analyze the evolution of reactor architectures, relevant reaction kinetics, and key operational parameters that inform rational design, linking these fundamentals to recent advances in solar-driven hydrogen production, CO2 conversion, and industrial scaling. Our analysis reveals a significant disconnect between the mechanistic understanding of reactor operation and the system-level performance required for innovative applications. This gap between theory and practice is particularly evident in efforts to translate laboratory success into robust and economically feasible industrial-scale operations. We believe that PMRs will realize their transformative potential in sustainable energy and environmental applications in future. Full article
(This article belongs to the Special Issue Environmentally Friendly Catalysis for Green Future)
20 pages, 6093 KB  
Article
A Preliminary Study on the Resistance Mechanism of Pleurotus ostreatus to Mitigate the Impact of Insecticides
by Zhiying Zhang, Qin Qiu, Lijuan Hou, Ping Xu, Ning Jiang, Jinsheng Lin, Shaoxuan Qu, Huiping Li, Fuhou Li, Weixia Wang, Lin Ma and Weidong Yuan
Horticulturae 2025, 11(10), 1180; https://doi.org/10.3390/horticulturae11101180 - 2 Oct 2025
Abstract
Pleurotus ostreatus cultivation is often affected by pest infestations, which contaminate the bag by eating nutrients and mycelium. This contamination eventually leads to a decline in the quality and yield of edible mushrooms and affects farmers’ income. Therefore, pesticides are commonly used for [...] Read more.
Pleurotus ostreatus cultivation is often affected by pest infestations, which contaminate the bag by eating nutrients and mycelium. This contamination eventually leads to a decline in the quality and yield of edible mushrooms and affects farmers’ income. Therefore, pesticides are commonly used for pest control. To examine the impact of insecticides on the growth of P. ostreatus, this study quantified the activities of antioxidant enzymes, including catalase (CAT), peroxidase (POD), superoxide dismutase (SOD), and phenylalanine deaminase (PAL), in the mushroom under different insecticide treatments. Additionally, transcriptome sequencing was performed to investigate the underlying regulatory mechanisms. The findings indicated that dinotefuran, diflubenzuron, chlorantraniliprole, and beta-cypermethrin treatments resulted in a significant reduction in catalase and peroxidase activities in P. ostreatus. Conversely, the application of beta-cypermethrin and chlorantraniliprole significantly enhanced PAL and SOD activities in the mycelium. PAL activity was significantly increased in all the mixed substrates, whereas only spray treatments with diflubenzuron resulted in a significant increase in PAL activity. SOD activity in the substrates was reduced by diflubenzuron in the mixed treatment and chlorantraniliprole in the spray treatment. In contrast, all other treatments resulted in a significant increase in SOD activity in the substrates. Transcriptome sequencing revealed that differential genes were predominantly enriched in valine, leucine, and isoleucine degradation, fatty acid degradation, tyrosine metabolism, ascorbate and aldarate metabolism, and histidine metabolism, among others. These biological processes are hypothesized to be involved in the growth regulatory effects of insecticides on the mycelium and ascospores of P. ostreatus. The reliability of the transcriptomic data was also validated through quantitative real-time polymerase chain reaction. Full article
(This article belongs to the Special Issue Advances in Propagation and Cultivation of Mushroom)
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34 pages, 6690 KB  
Article
Assessing the Effect of Mineralogy and Reaction Pathways on Geological Hydrogen (H2) Generation in Ultramafic and Mafic (Basaltic) Rocks
by Abubakar Isah, Hamidreza Samouei and Esuru Rita Okoroafor
Hydrogen 2025, 6(4), 76; https://doi.org/10.3390/hydrogen6040076 - 1 Oct 2025
Abstract
This study evaluates the impact of mineralogy, elemental composition, and reaction pathways on hydrogen (H2) generation in seven ultramafic and mafic (basaltic) rocks. Experiments were conducted under typical low-temperature hydrothermal conditions (150 °C) and captured early and evolving stages of fluid–rock [...] Read more.
This study evaluates the impact of mineralogy, elemental composition, and reaction pathways on hydrogen (H2) generation in seven ultramafic and mafic (basaltic) rocks. Experiments were conducted under typical low-temperature hydrothermal conditions (150 °C) and captured early and evolving stages of fluid–rock interaction. Pre- and post-interactions, the solid phase was analyzed using X-ray Diffraction (XRD) and X-ray Photoelectron Spectroscopy (XPS), while Inductively Coupled Plasma Mass Spectrometry (ICP-MS) was used to determine the composition of the aqueous fluids. Results show that not all geologic H2-generating reactions involving ultramafic and mafic rocks result in the formation of serpentine, brucite, or magnetite. Our observations suggest that while mineral transformation is significant and may be the predominant mechanism, there is also the contribution of surface-mediated electron transfer and redox cycling processes. The outcome suggests continuous H2 production beyond mineral phase changes, indicating active reaction pathways. Particularly, in addition to transition metal sites, some ultramafic rock minerals may promote redox reactions, thereby facilitating ongoing H2 production beyond their direct hydration. Fluid–rock interactions also regenerate reactive surfaces, such as clinochlore, zeolite, and augite, enabling sustained H2 production, even without serpentine formation. Variation in reaction rates depends on mineralogy and reaction kinetics rather than being solely controlled by Fe oxidation states. These findings suggest that ultramafic and mafic rocks may serve as dynamic, self-sustaining systems for generating H2. The potential involvement of transition metal sites (e.g., Ni, Mo, Mn, Cr, Cu) within the rock matrix may accelerate H2 production, requiring further investigation. This perspective shifts the focus from serpentine formation as the primary driver of H2 production to a more complex mechanism where mineral surfaces play a significant role. Understanding these processes will be valuable for refining experimental approaches, improving kinetic models of H2 generation, and informing the site selection and design of engineered H2 generation systems in ultramafic and mafic formations. Full article
(This article belongs to the Special Issue Advances in Hydrogen Production, Storage, and Utilization)
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17 pages, 1373 KB  
Review
Update on the Treatment of Non-Small Cell Lung Carcinoma (NSCLC)
by Yousif A. Kariri
J. Clin. Med. 2025, 14(19), 6960; https://doi.org/10.3390/jcm14196960 - 1 Oct 2025
Abstract
Non-small cell lung carcinoma (NSCLC) is a prominent type, with an 85–90% incidence in all lung cancer cases. The evidence for a particular therapy strategy for people with NSCLC is still inadequate. This review evaluates NSCLC therapies that have passed phase IV trials, [...] Read more.
Non-small cell lung carcinoma (NSCLC) is a prominent type, with an 85–90% incidence in all lung cancer cases. The evidence for a particular therapy strategy for people with NSCLC is still inadequate. This review evaluates NSCLC therapies that have passed phase IV trials, emphasizing their efficiency and adverse effects. Crucial therapeutic approaches, including dacomitinib, lorlatinib, durvalumab, osimertinib, and rivaroxban, are discussed, highlighting their mechanisms of action, uses, and adverse effects. Immune checkpoint medications are recommended because of their specific activity and minimal adverse reactions. The review also investigates cooperation therapies, such as targeting immune checkpoint inhibitors and hemostasis, alongside chemotherapy, as they offer potential for future therapies. However, further research is needed to improve the safety and efficacy of current treatments, and to explore novel ways to achieve better long-term outcomes. Full article
(This article belongs to the Special Issue Moving Forward to New Trends in Pulmonary Diseases)
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15 pages, 1841 KB  
Article
A Hybrid UA–CG Force Field for Aggregation Simulation of Amyloidogenic Peptide via Liquid-like Intermediates
by Hang Zheng, Shu Li and Wei Han
Molecules 2025, 30(19), 3946; https://doi.org/10.3390/molecules30193946 - 1 Oct 2025
Abstract
Elucidating amyloid formation inside biomolecular condensates requires models that resolve (i) local, chemistry specific contacts controlling β registry and (ii) mesoscale phase behavior and cluster coalescence on microsecond timescales—capabilities beyond single resolution models. We present a hybrid united atom/coarse grained (UA–CG) force field [...] Read more.
Elucidating amyloid formation inside biomolecular condensates requires models that resolve (i) local, chemistry specific contacts controlling β registry and (ii) mesoscale phase behavior and cluster coalescence on microsecond timescales—capabilities beyond single resolution models. We present a hybrid united atom/coarse grained (UA–CG) force field coupling a PACE UA peptide model with the MARTINI CG framework. Cross resolution nonbonded parameters are first optimized against all atom side chain potentials of mean force to balance the relative strength between different types of interactions and then refined through universal parameter scaling by matching radius of gyration distributions for specific systems using. We applied this approach to simulate a recently reported model system comprising the LVFFAR9 peptide that can co-assemble into amyloid fibrils via liquid–liquid phase separation. Our ten-microsecond simulations reveal rapid droplet formation populated by micelle like nanostructures with its inner core composed of LVFF clusters. The nanostructures can further fuse but the fusion is reaction-limited due to an electrostatic coalescence barrier. β structures emerge once clusters exceed ~10 peptides, and the LVFFAR9 fraction modulates amyloid polymorphism, reversing parallel versus antiparallel registry at lower LVFFAR9. These detailed insights generated from long simulations highlight the promise of our hybrid UA–CG strategy in investigating the molecular mechanism of condensate aging. Full article
(This article belongs to the Special Issue Development of Computational Approaches in Chemical Biology)
26 pages, 802 KB  
Review
Gluten Proteins: Beneficial Factors and Toxic Triggers in Human Health
by Luigia Di Stasio and Gianfranco Mamone
Foods 2025, 14(19), 3403; https://doi.org/10.3390/foods14193403 - 1 Oct 2025
Abstract
The impact of gluten on human health has been the subject of intense study. Gluten proteins are implicated in a range of adverse health effects, such as allergy, celiac disease, and non-celiac gluten sensitivity in predisposed individuals. However, beyond their potential to trigger [...] Read more.
The impact of gluten on human health has been the subject of intense study. Gluten proteins are implicated in a range of adverse health effects, such as allergy, celiac disease, and non-celiac gluten sensitivity in predisposed individuals. However, beyond their potential to trigger adverse reactions, gluten proteins also harbor sequences that, upon digestion or fermentation, can release bioactive peptides with health-promoting properties. These peptides have been reported to exhibit antioxidant, antihypertensive, and immunomodulatory activities, suggesting that gluten-derived products may contribute positively to human health. This review aims to explore the dual nature of gluten proteins, examining their role as both potential health hazards and sources of beneficial molecules. By dissecting the molecular mechanisms underlying gluten-related disorders and the functional properties of gluten-derived peptides, we seek to provide a balanced view of gluten’s complex role in nutrition and health. Full article
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23 pages, 4453 KB  
Article
Inhibitory Effects of Bisphenol Z on 11β-Hydroxysteroid Dehydrogenase 1 and In Silico Molecular Docking Analysis
by Tomasz Tuzimski and Mateusz Sugajski
Molecules 2025, 30(19), 3941; https://doi.org/10.3390/molecules30193941 - 1 Oct 2025
Abstract
Bisphenol A (BPA) is classified as an endocrine disruptor that mainly mimics the effects of estrogen and disrupts the synthesis of male androgens. Due to the toxicity of BPA, some new analogs, such as bisphenol BPB, BPC, BPF, PBH, and BPZ, were introduced [...] Read more.
Bisphenol A (BPA) is classified as an endocrine disruptor that mainly mimics the effects of estrogen and disrupts the synthesis of male androgens. Due to the toxicity of BPA, some new analogs, such as bisphenol BPB, BPC, BPF, PBH, and BPZ, were introduced into the market. The goal of this research was to demonstrate the applicability of kinetic analysis, in particular, Lineweaver-Burk plots, in assessing the impact of bisphenol Z on enzymatic activity. This study aimed to characterize the inhibitory effects of BPZ on 11β-hydroxysteroid dehydrogenase 1 (11β-HSD1) activity in the transformation of 11-dehydrocorticosterone (DHC) to corticosterone (CORT). During the determination of the enzymatic reaction product, chromatographic analysis conditions were optimized using gradient elution and an Acquity UPLC BEH C18 chromatographic column. The retention time of the assayed corticosterone was approximately 2 min. Also described and compared were graphical methods of analysis and data interpretation, such as Lineweaver-Burk, Eadie-Hofstee, and Hanes-Woolf plots. The experiments demonstrated that bisphenol Z is a mixed 11β-hydroxysteroid dehydrogenase 1 (11β-HSD1) inhibitor, responsible for catalyzing the conversion of 11-dehydrocorticosterone (DHC) to corticosterone (CORT). This relationship was confirmed by analyzing Lineweaver-Burk plots, which showed an increase in apparent KM with a decrease in the constant Vmax, suggesting a mixed inhibition mechanism. Molecular docking and detailed analysis of the interaction profiles revealed that BPZ consistently occupies the active site cavities of all examined enzymes (rat and human 11β-HSD1 and Arabidopsis 11β-HSD2), forming a stabilizing network of non-covalent interactions. Our research has significant biological significance considering the role of the 11β-HSD1 enzyme in the conversion of DHC to CORT and the importance of this process and its functions in adipose tissue, the liver, and the brain. Full article
(This article belongs to the Special Issue Modern Trends and Solutions in Analytical Chemistry in Poland)
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12 pages, 3187 KB  
Review
Psoriasis in the Context of Dermatologic Disorders: A Comprehensive Overview
by Julia Nowowiejska-Purpurowicz, Patrycja Lemiesz and Iwona Flisiak
Diseases 2025, 13(10), 322; https://doi.org/10.3390/diseases13100322 - 1 Oct 2025
Abstract
Psoriasis is a chronic, immune-mediated dermatosis that affects approximately 125 million people worldwide. Traditionally considered a dermatologic condition, it is now perceived as a systemic disease with numerous comorbidities. While its associations with psoriatic arthritis, metabolic syndrome, and psychiatric disorders are well established, [...] Read more.
Psoriasis is a chronic, immune-mediated dermatosis that affects approximately 125 million people worldwide. Traditionally considered a dermatologic condition, it is now perceived as a systemic disease with numerous comorbidities. While its associations with psoriatic arthritis, metabolic syndrome, and psychiatric disorders are well established, less attention has been given to its coexistence with other dermatoses. This narrative review aims to explore and summarize the existing evidence on the relationships between psoriasis and other skin diseases, highlighting potential overlaps in clinical presentation, pathogenesis, and treatment challenges. Psoriasis may coexist with several inflammatory and autoimmune skin disorders, including atopic dermatitis, lichen simplex chronicus, anti-p200 pemphigoid, pityriasis rubra pilaris, seborrheic dermatitis, inflammatory linear verrucous nevus (ILVEN), Sneddon–Wilkinson disease, and vitiligo. The review highlights the shared genetic pathways (e.g., the Th1/Th17 axis and IL-17 pathway), diagnostic challenges (e.g., sebopsoriasis and psoriasis–eczema overlap), and therapeutic considerations (e.g., paradoxical reactions to biologics and effectiveness of JAK inhibitors in both psoriasis and vitiligo). The coexistence of psoriasis with other dermatoses is more common and clinically significant than previously appreciated. Recognizing these associations is crucial for an accurate diagnosis, avoiding mismanagement, and optimizing individualized treatment strategies. Further research is needed to elucidate the underlying mechanisms and improve the multidisciplinary care for patients with complex dermatologic presentations. Full article
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