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31 pages, 15747 KB  
Review
Zn Powder Anodes for High-Utilization Aqueous Zinc-Ion Batteries: Interfacial Reaction Selectivity, Coupled Failure Mechanisms, and Electrode Engineering
by Litao Yu, Mengqi Wang, Ruili Zhu, Jianjian Fu, Wenfeng Liu, Xiaoyu Chen, Wanyin Yang, Kwang Ho Kim, Oi Lun Li and Lei Li
Catalysts 2026, 16(9), 815; https://doi.org/10.3390/catal16090815 (registering DOI) - 9 Sep 2026
Abstract
Aqueous zinc-ion batteries are promising candidates for large-scale energy storage as high-safety, low-cost, and abundant zinc resources. Compared with conventional zinc foil, zinc powder (Zn-P) anodes display controllable capacity by regulating zinc powder loading, electrode thickness and pore structure, providing opportunities to improve [...] Read more.
Aqueous zinc-ion batteries are promising candidates for large-scale energy storage as high-safety, low-cost, and abundant zinc resources. Compared with conventional zinc foil, zinc powder (Zn-P) anodes display controllable capacity by regulating zinc powder loading, electrode thickness and pore structure, providing opportunities to improve zinc utilization, reduce costs and enhance manufacturing compatibility. However, Zn-P anodes are dynamic particle-composite electrodes in which reaction interfaces, pore channels, particle contacts, and electronic networks continuously evolve during cycling and storage. Their electrochemical behavior therefore reflects coupled effects of Zn2+ plating/stripping, hydrogen evolution, corrosion, by-product-induced pore blockage, stress evolution, contact loss, and calendar aging. This review focuses on the structural characteristics, failure mechanisms, interfacial reaction regulation, electrode engineering, and practical evaluation of zinc powder anodes. It subsequently analyzes the application boundaries of zincophilic metals, carbon materials, MXene, Meta–Organic Frameworks/Covalent Organic Frameworks (MOFs/COFs), artificial interphases, electrolyte additives, slurry engineering, current collectors, and manufacturing strategies. Then, it points out their mechanisms for regulating reaction selectivity, ion/electron transport, and structural stability. Further, the practical evaluation criteria are given, including Zn loading, the negative/positive capacity ratio (N/P ratio), Zn utilization, electrolyte dosage, calendar life and pouches/large-scale cells under limited zinc conditions. Overall, Zn-P anode development should focus on interfacial reaction selectivity, powder structure, electrode manufacturing and limited-zinc evaluation. Full article
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21 pages, 2825 KB  
Review
Antibody-Radionuclide Conjugates for Solid Tumors: Multidimensional Strategies from Component Engineering to Synergistic Combination Therapy
by Mohan Zhao, Xiaojun Zhao, Zixiang Gao, Rongguang Shao, Li Liu and Wuli Zhao
Int. J. Mol. Sci. 2026, 27(18), 8022; https://doi.org/10.3390/ijms27188022 - 9 Sep 2026
Abstract
Antibody-radionuclide conjugates (ARCs), defined as systems in which antibodies or their derivatives are linked to therapeutic or diagnostic radionuclides via covalent or non-covalent strategies, represent a promising platform for precision tumor theranostics. Their clinical application in solid tumors, however, remains constrained by poor [...] Read more.
Antibody-radionuclide conjugates (ARCs), defined as systems in which antibodies or their derivatives are linked to therapeutic or diagnostic radionuclides via covalent or non-covalent strategies, represent a promising platform for precision tumor theranostics. Their clinical application in solid tumors, however, remains constrained by poor tumor penetration, heterogeneous antigen expression, off-tumor toxicity, and an immunosuppressive tumor microenvironment. To systematically address these barriers, multidimensional strategies are being pursued. Structurally, innovations in radionuclide selection, antibody engineering, and chelator chemistry are enhancing targeting efficacy and in vivo stability. Strategically, pretargeting approaches decouple antibody localization from radionuclide delivery to minimize off-target exposure. Systematically, matched theranostic pairs enable image-guided patient stratification and personalized dosimetry. Biologically, combining ARCs with immune checkpoint inhibitors or DNA damage response inhibitors remodels the tumor microenvironment and converts localized radiation into systemic antitumor immunity. This review critically evaluates recent advances across these domains, from component optimization, pretargeting strategies, and theranostic integration, to combination regimens, and highlights the translational barriers that must be overcome to realize the full clinical potential of ARCs in solid tumors. Full article
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59 pages, 10068 KB  
Review
Sustainable Polymer Aerogels: Multiscale Design from Biomass and Thermoset Networks to AI-Guided Materials Discovery
by Trung Chi Duong, Phan Minh Quoc Binh, Dam Thi Thanh Hai, Le Thanh Thanh, Truong Thanh Tuan, Nguyen Thi Phuong Nhung, Nguyen Van Kiet, Nga H. N. Do and Hai M. Duong
Gels 2026, 12(9), 824; https://doi.org/10.3390/gels12090824 - 8 Sep 2026
Abstract
Polymer aerogels have attracted increasing attention as lightweight porous materials for thermal insulation, separation, adsorption, remediation, and other environmental applications. Their low density and tunable surface chemistry also make them suitable for converting renewable, recycled, and waste-derived feedstocks into value-added materials. However, their [...] Read more.
Polymer aerogels have attracted increasing attention as lightweight porous materials for thermal insulation, separation, adsorption, remediation, and other environmental applications. Their low density and tunable surface chemistry also make them suitable for converting renewable, recycled, and waste-derived feedstocks into value-added materials. However, their overall sustainability remains difficult to assess because most studies focus on material properties, whereas solvent use, drying energy, processing yield, durability, regeneration, and end-of-life pathways are reported less consistently. This review examines sustainable polymer aerogels from the perspectives of cleaner production and waste valorization and focuses on two main features. First, a unified multiscale framework of structure, formation, and performance links network formation mechanisms, pore architecture, and macroscopic behavior across biomass-derived, thermoset, dynamic covalent, hybrid, and recycled polymer aerogels, which are compared in terms of feedstock origin, processing intensity, functional performance, durability, and circularity. Second, structure–property mapping is combined with sustainability-constrained, AI-guided design, with environmental descriptors treated as optimization objectives from the outset rather than as post hoc justifications. Particular attention is given to waste and secondary resources, including agricultural residues, textile waste, paper waste, recycled poly(ethylene terephthalate), and end-of-life tire fibers. The review also discusses how life-cycle assessment, service-based functional units, and minimum reporting standards can help assess whether sustainability claims are supported by measurable environmental benefits. Several recurring limitations emerge from the literature: sustainability is often discussed only qualitatively, processing data are insufficient to support robust life-cycle assessments, solvent exchange and drying remain major environmental hotspots, and circularity claims frequently conflate bio-based content, biodegradability, recyclability, and reusability. Finally, the review discusses how data-driven tools, including literature mining, machine learning, and multi-objective optimization, can support polymer-aerogel design when environmental descriptors are included from the beginning of materials development. The review also proposes a reporting and design roadmap for future work toward polymer aerogels that combine useful performance with lower resource intensity and credible end-of-life value retention. Full article
(This article belongs to the Special Issue Sustainable Advanced Materials in Aerogels and Hydrogels)
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38 pages, 78558 KB  
Review
Detection and Capture of Volatile Fluorinated Compounds Using Porous Materials
by Jiejing Hou, Xinlei Tao, Ce Zhang, Zidan Zhang, Huihui Kong, Qingmin Ji, Hengdao Quan and Harald Fuchs
Nanomaterials 2026, 16(17), 1125; https://doi.org/10.3390/nano16171125 - 7 Sep 2026
Abstract
Volatile fluorinated compounds (VFCs) are indispensable to modern industry, yet their potent greenhouse effects pose critical environmental challenges. Functional porous materials, ranging from zeolites and semiconductor oxides to metal–organic frameworks (MOFs), covalent organic frameworks (COFs), and other advanced porous materials, have emerged as [...] Read more.
Volatile fluorinated compounds (VFCs) are indispensable to modern industry, yet their potent greenhouse effects pose critical environmental challenges. Functional porous materials, ranging from zeolites and semiconductor oxides to metal–organic frameworks (MOFs), covalent organic frameworks (COFs), and other advanced porous materials, have emerged as versatile platforms for VFC sensing and capture, leveraging their structural tunability, ultrahigh surface areas, and designable pore chemistry. This review provides a systematic summary of recent advances in porous materials for VFC management. For sensing, we examine transduction mechanisms (chemiresistive, optical, and gravimetric approaches) with emphasis on structure–signal relationships. For capture, we evaluate adsorptive performance across VFC subclasses, highlighting design principles that govern selectivity and capacity. Based on recent achievements, we assess persistent gaps between laboratory-scale achievements and practical deployment. Possible pathways toward integrated sense-and-capture systems are also explored. By bridging fundamental materials science, this review highlights cross-cutting design strategies that may accelerate the development of next-generation VFC management platforms. Full article
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25 pages, 71640 KB  
Article
Whey Protein Peptides Self-Assembled Nanoparticles with Intrinsic Cholesterol Esterase Inhibition Enhance Stigmasterol Bioaccessibility and Hypocholesterolemic Effects
by Haoyu Wang, Zhiyuan Ma, Han Gong, Yang Zou, Haijiao Zhang, Xiaohong Chen and Xueying Mao
Nutrients 2026, 18(17), 2934; https://doi.org/10.3390/nu18172934 - 7 Sep 2026
Abstract
Background: Stigmasterol (St) holds promise as a natural cholesterol-lowering agent, yet its poor aqueous solubility and low bioaccessibility severely constrain its application in functional foods. Methods: In this study, we exploited whey protein peptides (WPP) with intrinsic cholesterol esterase (CEase) inhibitory [...] Read more.
Background: Stigmasterol (St) holds promise as a natural cholesterol-lowering agent, yet its poor aqueous solubility and low bioaccessibility severely constrain its application in functional foods. Methods: In this study, we exploited whey protein peptides (WPP) with intrinsic cholesterol esterase (CEase) inhibitory activity to construct St-loaded self-assembled nanoparticles. Subsequently, we investigated its physicochemical properties and formation mechanism and evaluated its hypocholesterolemic activity through animal experiments. Results: Driven by non-covalent hydrophobic and hydrogen-bonding interactions, the optimized St-loaded WPP nanoparticles (St@WPP) ((234.47 ± 1.36) nm) achieved a high encapsulation efficiency (EE) of 74.73% ± 2.19%. This nano-encapsulation markedly improved St dispersibility and storage stability, and significantly elevated its bioaccessibility from 9.00% ± 0.14% to 19.41% ± 0.69% after simulated gastrointestinal digestion. St@WPP administration effectively ameliorated dyslipidemia, as evidenced by reduced serum total cholesterol (TC) and low-density lipoprotein cholesterol (LDL-C), which may be associated with reduced intestinal cholesterol availability and increased fecal cholesterol content. Moreover, St@WPP alleviated hepatic steatosis, attenuated systemic inflammation, and rebalanced gut microbiota architecture. Conclusions: Collectively, the WPP shell functions as a delivery carrier that improves the water solubility and bioaccessibility of St, thereby broadening its potential for application in low-fat or aqueous-based food systems. The resulting St@WPP exhibits notable cholesterol-lowering activity, positioning it as a promising functional food ingredient with potential benefits for cholesterol management. Full article
(This article belongs to the Section Phytochemicals and Human Health)
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20 pages, 2203 KB  
Article
Role of Acid Structure in Structure–Property Relationships of Reprocessable Epoxidized Soybean Oil Thermosetting Networks
by Madina Mussalimova, Ainash Baidullayeva, Alexey Shakhvorostov, Zhanserik Shynykul and Gaukhar Toleutay
Polymers 2026, 18(17), 2180; https://doi.org/10.3390/polym18172180 - 7 Sep 2026
Abstract
Thermosetting polymers offer excellent thermal stability, chemical resistance, and mechanical integrity, but their permanent covalent crosslinks limit recyclability and reprocessability. In this work, ESO-based vitrimer-like polyester networks were synthesized from epoxidized soybean oil (ESO) using tartaric, maleic, succinic, and tannic acids as catalyst-free [...] Read more.
Thermosetting polymers offer excellent thermal stability, chemical resistance, and mechanical integrity, but their permanent covalent crosslinks limit recyclability and reprocessability. In this work, ESO-based vitrimer-like polyester networks were synthesized from epoxidized soybean oil (ESO) using tartaric, maleic, succinic, and tannic acids as catalyst-free curing agents. The influence of curing-agent structure on epoxy conversion, network homogeneity, thermal behavior, mechanical properties, chemical resistance, and reprocessing performance was systematically investigated. FTIR analysis indicated extensive epoxide ring opening and polyester network formation in all formulations. Tartaric and maleic acid systems exhibited stronger ester absorptions, higher gel content, and improved film uniformity, indicating more efficient network formation. The resulting materials showed good thermal stability, with degradation onset temperatures of 265–280 °C and maximum decomposition temperatures up to 400 °C. Mechanical performance strongly depended on acid structure: tannic acid produced the stiffest and strongest films, tartaric acid provided the best balance between strength and ductility, and succinic acid yielded less-uniform networks with reduced structural integrity. Reprocessing experiments demonstrated thermo-mechanical reprocessability consistent with vitrimer-like behavior in the tartaric- and maleic-acid-cured systems. These findings highlight curing-agent architecture as a key parameter for designing catalyst-free, renewable, and reprocessable ESO-based thermosets with tunable structure–property relationships. Full article
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19 pages, 12386 KB  
Article
First-Principles Insights into Coverage-Dependent Water Adsorption Mechanisms on Representative Lunar Regolith Mineral Surfaces
by Xinnan Deng, Yue Hong, Xueli Wang, Xiuming Ye, Hongtao Xue, Chengdan He, Jin Wang and Fuling Tang
Materials 2026, 19(17), 3805; https://doi.org/10.3390/ma19173805 - 7 Sep 2026
Abstract
Water retention on the lunar surface is governed by water–mineral interactions, yet the atomic-scale transition from isolated adsorption to high-coverage water accumulation remains insufficiently understood. We perform spin-polarized first-principles calculations to investigate single- and multi-water adsorption on representative surfaces of four major lunar [...] Read more.
Water retention on the lunar surface is governed by water–mineral interactions, yet the atomic-scale transition from isolated adsorption to high-coverage water accumulation remains insufficiently understood. We perform spin-polarized first-principles calculations to investigate single- and multi-water adsorption on representative surfaces of four major lunar regolith minerals: CaAl2Si2O8, MgFeSi2O6, FeTiO3, and Mg3FeSi2O8. Single-water adsorption reveals that H2O preferentially anchors at exposed metal sites via O-M coordination, with Ti and Fe sites exhibiting stronger initial binding than Mg, Ca, or Al sites. The Hard–Soft Acid–Base (HSAB) principle provides a qualitative framework for this low-coverage site preference based on Lewis acidity. Specifically, the accessible d-orbitals and localized states of Ti/Fe centers introduce substantial covalent orbital coupling and interfacial polarization, which effectively reinforce the binding with the hard O-donor of water. However, as water coverage increases, the stabilization mechanism undergoes a fundamental transition. At low coverage, adsorption is localized and site-specific, governed by cation acidity. At high coverage, the formation of laterally connected hydrogen-bonded networks becomes the dominant stabilizing factor, and the overall adsorption behavior is increasingly dictated by surface topology and geometric compatibility for hydrogen-bond connectivity rather than by isolated cation acidity. This coverage-dependent evolution from electronic-driven anchoring to topology-driven network formation establishes a dual-stage cooperative mechanism for water accumulation on lunar mineral surfaces. Our findings suggest that models for volatile retention on airless bodies must account for both the electronic activity of surface cations and the structural topology of mineral surfaces. Full article
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24 pages, 1827 KB  
Review
Hepatitis B Virus: Epidemiology, Prophylaxis, Therapy, Clinical Outcomes, and Novel Therapeutic Directions
by Uzair Iqbal, Khadija Khalid, Yunus Yukselten, Farooq Ahmad, Haseeb Ahmad, Abdur Rehman Khalid, Mohamed Shaltout and Richard E. Sutton
Biomolecules 2026, 16(9), 1290; https://doi.org/10.3390/biom16091290 - 7 Sep 2026
Abstract
Hepatitis B virus (HBV) infection is a worldwide health concern that infects nearly 254 million people globally and causes more than 1 million deaths annually. The highest prevalence is seen in sub-Saharan Africa and the Western Pacific region. Cirrhosis, liver failure, and hepatocellular [...] Read more.
Hepatitis B virus (HBV) infection is a worldwide health concern that infects nearly 254 million people globally and causes more than 1 million deaths annually. The highest prevalence is seen in sub-Saharan Africa and the Western Pacific region. Cirrhosis, liver failure, and hepatocellular carcinoma (HCC) are reported as leading complications of chronic HBV. The route of transmission of this infection is mainly by exposure to infected blood and bodily fluids. Transmission from mother-to-child remains the predominant route in highly endemic areas. Vaccination has significantly reduced HBV seroprevalence and complications. However, incomplete vaccination of newborns continues to be a major obstacle to elimination of the disease. Current prevention strategies include universal vaccination, perinatal prophylaxis with hepatitis B immune globulin, and maternal antiviral therapy in pregnant women with high viral load. The management of chronic hepatitis B virus infection predominantly depends on nucleoside analogs, including entecavir, tenofovir disoproxil fumarate, and tenofovir alafenamide, as well as pegylated interferon alfa. These therapies effectively suppress viral replication and reduce the risks of cirrhosis, HCC, and liver-related mortality, but they rarely achieve functional cure characterized by hepatitis B surface antigen loss. The persistence of covalently closed circular DNA (cccDNA) remains a major hindrance in HBV eradication. Therefore, novel therapeutic strategies targeting different stages of the viral life cycle, including capsid assembly modulators, small interfering RNAs, nucleic acid polymers, and cccDNA-directed approaches, are under active investigation. This review summarizes the epidemiology, prevention, current therapies, clinical outcomes, and emerging therapeutic advances in HBV infection, highlighting ongoing efforts toward achieving a functional cure and global HBV elimination. Full article
(This article belongs to the Section Molecular Medicine)
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30 pages, 730 KB  
Review
Research Progress, Application, and Industrialization Prospects of Circular RNA Vaccines in Viral Diseases
by Dongjie Cai, Xingling Li, Ruoxu Wang, Chen Lin, Jing Wen and Bin Tian
Vaccines 2026, 14(9), 781; https://doi.org/10.3390/vaccines14090781 - 7 Sep 2026
Abstract
RNA vaccines—comprising linear mRNA, self-amplifying RNA, and circular RNA (circRNA)—constitute a core next-generation platform for the prevention and control of viral diseases; among these, circRNA vaccines possess notable structural stability, yet their technical bottlenecks and application prospects in veterinary medicine have not been [...] Read more.
RNA vaccines—comprising linear mRNA, self-amplifying RNA, and circular RNA (circRNA)—constitute a core next-generation platform for the prevention and control of viral diseases; among these, circRNA vaccines possess notable structural stability, yet their technical bottlenecks and application prospects in veterinary medicine have not been systematically reviewed. This review synthesizes current research on circRNA vaccine design, circularization strategies, translation mechanisms, delivery systems, and immunological outcomes, and compares their antiviral performance with that of linear mRNA vaccines. Owing to their covalently closed circular conformation, circRNA vaccines exhibit enhanced resistance to nucleases and superior thermal stability, enabling sustained transfection activity at ambient temperatures without reliance on strict cold chains; through cap-independent translation driven by internal ribosome entry sites or N6-methyladenosine modifications, and in conjunction with optimized circularization protocols and lipid nanoparticle carriers, circRNA vaccines elicit substantially higher antiviral IgG titers and durable antigen-specific T-cell memory relative to linear mRNA vaccines. These vaccines have been deployed against COVID-19, monkeypox, influenza, and livestock viral diseases, demonstrating strong adaptability to viral variants and compatibility with mucosal or needle-free administration routes. CircRNA vaccines are well suited for both emergency outbreak response and routine immunization programs; nevertheless, challenges persist, including low circularization efficiency for long sequences, elevated manufacturing costs, and inadequate quality control standards. Addressing these issues through improved production workflows and delivery technologies adapted to resource-limited settings will be critical to establishing circRNA vaccines as a pillar of livestock disease management and as a strategic reserve for emerging zoonotic threats. Full article
(This article belongs to the Section Nucleic Acid (DNA and mRNA) Vaccines)
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16 pages, 4702 KB  
Article
Sesquiterpene Lactone Derivatives of Ambrosia artemisiifolia Act as Agonists of the Transient Receptor Potential Ankyrin 1 Ion Channel
by Balázs Zoltán Zsidó, Csaba Hetényi, Balázs Kovács, Dezső Csupor, Tivadar Kiss, Boglárka Csupor-Löffler, Zsuzsanna Helyes and Éva Szőke
Pharmaceuticals 2026, 19(9), 1404; https://doi.org/10.3390/ph19091404 - 6 Sep 2026
Viewed by 318
Abstract
Background: Transient receptor potential ankyrin 1 (TRPA1) and vanilloid 1 (TRPV1) are key nociceptive ion channels involved in chemosensation, pain signaling, and neurogenic inflammation. Several sesquiterpene lactones target TRPA1, but the activity profile of these secondary metabolites of the common ragweed (Ambrosia [...] Read more.
Background: Transient receptor potential ankyrin 1 (TRPA1) and vanilloid 1 (TRPV1) are key nociceptive ion channels involved in chemosensation, pain signaling, and neurogenic inflammation. Several sesquiterpene lactones target TRPA1, but the activity profile of these secondary metabolites of the common ragweed (Ambrosia artemisiifolia) remains uncharacterized. Purpose: The purpose of this study was to explore the activity of five ragweed sesquiterpene lactones on TRPA1 and TRPV1, respectively. Methods: We investigated the effects of five ragweed-derived sesquiterpene lactones—acetoxydihydrodamsin, costunolide, isoalantolactone, peruvin, and psilostachyin—on TRPA1 and TRPV1 using 45Ca2+ uptake in receptor-overexpressing CHO cells and covalent docking to human TRPA1. Results: Costunolide, isoalantolactone and acetoxydihydrodamsin induced TRPA1 activation (counts per minute of 45Ca2+ uptake at 40 µM concentration: 5070 ± 346.5, 10,197 ± 1237, 3704 ± 1634, respectively) but not TRPV1 activation, as demonstrated by Ca2+ influx. Acetoxydihydrodamsin induced concentration-dependent TRPA1 activation that was significantly inhibited by 10 µM of the selective antagonist HC-030031. Docking studies demonstrated covalent interactions of costunolide, isoalantolactone, and acetoxydihydrodamsin (−47.3, −51.5, and −45.0 kcal/mol FITTED score) with the electrophile-sensitive binding region of TRPA1. Conclusions: Ragweed sesquiterpene lactones act as TRPA1 agonists without detectable TRPV1 activation. This study provides the first data identifying acetoxydihydrodamsin as a TRPA1 agonist, expanding the pharmacological map of ragweed sesquiterpene lactones. These results suggest that these metabolites may contribute to both the irritant properties and the pharmacological potentials of A. artemisiifolia. Full article
(This article belongs to the Section Natural Products)
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16 pages, 14657 KB  
Article
Calcium-Specific Catalytic Deactivation of Lipopeptides: Multiscale Insights into Hydrolysis Mechanisms and Computationally Proposed Tolerance Boundaries Under Reservoir Conditions
by Shenghui Yue, Bowen Xu, Zhennan Liu, Qiongyao Chen, Yanbin Cao, Weidong Wang, Hao Ren, Wenyue Guo, Qinglin Shu and Houyu Zhu
Catalysts 2026, 16(9), 804; https://doi.org/10.3390/catal16090804 - 5 Sep 2026
Viewed by 139
Abstract
Enhanced oil recovery (EOR) is a crucial technology for improving crude oil recovery; it extracts residual oil from reservoirs through chemical, physical, or biological methods, thereby further increasing recovery rates after secondary recovery. Biosurfactants, particularly lipopeptides, have become a research focus in the [...] Read more.
Enhanced oil recovery (EOR) is a crucial technology for improving crude oil recovery; it extracts residual oil from reservoirs through chemical, physical, or biological methods, thereby further increasing recovery rates after secondary recovery. Biosurfactants, particularly lipopeptides, have become a research focus in the field of EOR due to their excellent properties. However, existing studies have mainly concentrated on their production and characterization, while systematic investigation into their deactivation mechanisms and stability limits remains lacking at the molecular level. This study integrates density functional theory (DFT), ab initio molecular dynamics (AIMD), and classical molecular dynamics (MD) simulations to systematically reveal the hydrolysis mechanisms and stability boundaries of lipopeptide model molecules under high-temperature and high-salinity reservoir conditions from a multiscale perspective. DFT calculations show significant differences in the energy barriers among different hydrolysis sites in lipopeptide molecules, with side-chain structure being a key factor influencing amide bond hydrolysis. Metal ions present in reservoir environments (Na+, K+, Ca2+, Mg2+), particularly divalent ones (Ca2+, Mg2+), can act as catalysts to reduce the hydrolysis energy barrier. Electronic structure analysis reveals that the catalytic effect originates from the polarization of the carbonyl oxygen by metal ions, weakening the covalent character of the C=O bond. AIMD simulations reveal that only Ca2+ can specifically activate the hydrolysis of lipopeptide molecules at certain distances (critical distance), while other cations (e.g., Mg2+, K+, Na+) do not exhibit similar catalytic activity. MD simulations further demonstrate that Ca2+ ion concentration and temperature are the dominant factors influencing Ca2+ permeation toward hydrolysis sites (limit distance), with other ions having a weaker effect. By systematically simulating lipopeptide behavior under varying temperature and ion concentration conditions, a catalytic hydrolysis criterion based on the effective distance of Ca2+ interaction (i.e., limit distance ≤ critical distance) is established through multiscale simulation, and the performance boundaries of its temperature and salt tolerance are preliminarily defined. This study provides a theoretical basis and quantitative design guidance for the applicability of lipopeptide-based biosurfactants in high-temperature and high-salinity reservoirs. Full article
(This article belongs to the Section Catalysis for Sustainable Energy)
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15 pages, 8870 KB  
Article
Direct Immobilization of Living Poly(2-ethyl-2-oxazoline) Chains onto Mesoporous Silica: A Simplified Grafting-To Strategy for Hybrid Organic–Inorganic Materials
by Marcelina Bochenek, Margarita Popova, Natalia Oleszko-Torbus, Agnieszka Kowalczuk, Alicja Utrata-Wesołek, Violeta Mitova, Neli Koseva, Elżbieta Grządka, Jolanta Orzeł and Barbara Mendrek
Materials 2026, 19(17), 3775; https://doi.org/10.3390/ma19173775 - 4 Sep 2026
Viewed by 137
Abstract
The development of straightforward and efficient strategies for the preparation of polymer-functionalized mesoporous silica remains an important challenge in the design of advanced hybrid materials. Herein, we report a novel and simplified approach to the covalent functionalization of mesoporous silica particles (MSP) with [...] Read more.
The development of straightforward and efficient strategies for the preparation of polymer-functionalized mesoporous silica remains an important challenge in the design of advanced hybrid materials. Herein, we report a novel and simplified approach to the covalent functionalization of mesoporous silica particles (MSP) with poly(2-ethyl-2-oxazoline) (PEtOx), based on the direct termination of living cationic polymer chains by amino groups immobilized on the silica surface. In contrast to conventional grafting-to methods, the proposed strategy eliminates the need for polymer end-group functionalization while avoiding the synthetic complexity associated with surface-initiated polymerization. Well-defined PEtOx chains with number-average molar masses of 5000 and 7500 g mol−1 were synthesized by cationic ring-opening polymerization (CROP) and subsequently grafted onto amino-functionalized MSP. Successful covalent immobilization of the polymer was confirmed by Fourier-transform infrared spectroscopy (FT-IR), elemental analysis, thermogravimetric analysis (TGA), scanning electron microscopy (SEM), transmission electron microscopy (TEM), contact angle measurements, and nitrogen adsorption–desorption studies. The modification preserved the ordered mesoporous architecture while increasing particle hydrophilicity and decreasing the specific surface area and pore volume due to polymer incorporation. Shorter polymer chains exhibited higher grafting efficiency than higher-molar-mass analog, indicating that steric hindrance is an important factor influencing the grafting process. The presented methodology provides a versatile and experimentally accessible platform for the preparation of well-defined poly(2-oxazoline)-functionalized mesoporous silica with tunable physicochemical properties. Owing to the combination of a porous inorganic framework and a polymer shell, the obtained hybrid materials represent promising candidates for drug delivery, adsorption technologies, and other advanced biomedical and environmental applications. Full article
(This article belongs to the Special Issue Advances in the Synthesis and Properties of Novel Polymer Materials)
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37 pages, 2257 KB  
Review
Methotrexate–Cyclodextrin Systems: Molecular Recognition, Formulation Design, and Translational Perspectives
by Konrad Adam Michalik, Dominik Grzywacz and Łukasz Szeleszczuk
Curr. Issues Mol. Biol. 2026, 48(9), 905; https://doi.org/10.3390/cimb48090905 - 4 Sep 2026
Viewed by 107
Abstract
Methotrexate (MTX) remains central to the treatment of rheumatoid arthritis and several malignancies, yet its use is complicated by dose-dependent toxicity, variable oral exposure, photolability, and pH-dependent solubility. Cyclodextrins (CDs) can alter the molecular environment of MTX, but the literature often conflates true [...] Read more.
Methotrexate (MTX) remains central to the treatment of rheumatoid arthritis and several malignancies, yet its use is complicated by dose-dependent toxicity, variable oral exposure, photolability, and pH-dependent solubility. Cyclodextrins (CDs) can alter the molecular environment of MTX, but the literature often conflates true inclusion complexes with formulations in which CD merely forms part of a larger carrier. This review critically distinguishes direct MTX–CD complexes, dosage forms built from a preformed complex, CD-containing carriers without direct evidence of cavity occupancy, and covalent MTX–CD conjugates. Particular attention is given to binding stoichiometry, apparent association constants, guest orientation, preparation methods, and the evidence needed to establish inclusion. Both solution-state host–guest association and isolated solid products are considered; however, solid-state changes are treated as supportive evidence rather than as stand-alone proof of cyclodextrin cavity occupancy. Among the limited head-to-head comparisons of native cyclodextrins, β-CD generally showed more favorable MTX recognition than α- or γ-CD, although the magnitude of this difference is method- and condition-dependent. Complexation can improve dissolution, photostability, and oral or local delivery; however, greater solubilization does not necessarily enhance membrane transport. In carrageenan hydrogels, β-CD increased MTX loading and release while reducing membrane permeation, illustrating the importance of the equilibrium between complexed and freely permeating drug. The most promising systems remain preclinical. Progress toward translation will require clearer nomenclature, orthogonal structural characterization, mechanism-resolving controls, and standardized pharmacokinetic and safety studies. Full article
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18 pages, 3909 KB  
Article
A Label-Free Graphene Oxide-Enhanced Piezoelectric Acoustic Biosensor for DLX1 Detection
by Thita Sonklin, Dhanunjaya Munthala, Machchhendra Thapa, Yanwarut Chiraatthakit, Ashish Mathur, Sanong Suksaweang and Soodkhet Pojprapai
Analytica 2026, 7(3), 63; https://doi.org/10.3390/analytica7030063 - 4 Sep 2026
Viewed by 229
Abstract
Distal-less homeobox 1 (DLX1) has emerged as a promising urinary biomarker for prostate cancer. This study developed a label-free piezoelectric acoustic biosensor for selective DLX1 detection using a quartz crystal microbalance (QCM). The QCM gold electrode was sequentially functionalized with L-cysteine, [...] Read more.
Distal-less homeobox 1 (DLX1) has emerged as a promising urinary biomarker for prostate cancer. This study developed a label-free piezoelectric acoustic biosensor for selective DLX1 detection using a quartz crystal microbalance (QCM). The QCM gold electrode was sequentially functionalized with L-cysteine, graphene oxide (GO), and an amine-terminated DLX1 capture probe covalently immobilized through EDC–NHS-mediated amide bond formation. Stepwise surface functionalization was characterized by X-ray photoelectron spectroscopy (XPS), supported by contact angle measurements, X-ray diffraction, and field-emission scanning electron microscopy. XPS provided multi-element evidence for Au–S thiolate formation, GO deposition, amide coupling, probe immobilization, and Watson–Crick hybridization with the synthetic DLX1 target. Under optimized conditions, the biosensor exhibited a linear response to DLX1 concentrations and achieved a limit of detection of 81.19 nM. Non-complementary sequences, including PCA3 and SARS-CoV-2, produced frequency shifts below 9 Hz, confirming high selectivity. Comparative experiments showed that GO-mediated covalent immobilization was essential for reliable detection, whereas direct DNA attachment to bare Au generated anomalous positive frequency shifts, which were attributed to weak physisorption. The proposed platform offers a sensitive and selective strategy for quantitative DLX1 detection and may support future point-of-care nucleic acid diagnostics. Full article
(This article belongs to the Section Sensors)
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Article
A Locally Injectable, pH/ROS-Responsive Hydrogel Platform for Combination Therapy of Cervical Cancer with Anti-Fibrotic and Chemotherapeutic Agents
by Qian Chen, Hui Yang, Meili Pei, Yanxia Sun, Yubei Li, Sen Yu and Xiaofeng Yang
Pharmaceutics 2026, 18(9), 1115; https://doi.org/10.3390/pharmaceutics18091115 - 4 Sep 2026
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Abstract
Background: The fibrous tumor extracellular matrix (ECM), driven by cancer-associated fibroblasts (CAFs), forms a physical barrier against drugs and immune cells, yet direct CAF elimination risks promoting metastasis. Methods: In this study, we developed a locally injectable hydrogel based on synergistic dynamic covalent [...] Read more.
Background: The fibrous tumor extracellular matrix (ECM), driven by cancer-associated fibroblasts (CAFs), forms a physical barrier against drugs and immune cells, yet direct CAF elimination risks promoting metastasis. Methods: In this study, we developed a locally injectable hydrogel based on synergistic dynamic covalent crosslinking (imine and boronate ester bonds), enabling instant gelation, shear thinning, and dual-pH/ROS-responsive degradation. Two types of drug-loaded nanoparticles (NPs), coated with homotypic cell membranes, were incorporated into this hydrogel. In the acidic, reactive oxygen species (ROS)-rich tumor microenvironment (TME), the system responsively releases the antifibrotic drug SIS3 to reprogram CAFs while simultaneously delivering doxorubicin (DOX) specifically to tumor cells. Biological effects were evaluated in vitro using cell cultures and in vivo in mouse models. Results: This dynamic hydrogel-based co-delivery system effectively reprograms CAFs, reduces tumor mechanical stress, breaks the fibrotic barrier, and promotes the deep infiltration of chemotherapeutics and immune cells, thereby enhancing the efficacy of chemotherapy. Conclusions: This injectable pH/ROS-responsive dynamic covalent hydrogel, loaded with CAF- and cancer cell-targeting NPs, remodels the TME, enhances drug and immune cell penetration, and offers a promising biomaterial-based strategy for cervical cancer treatment. Full article
(This article belongs to the Section Drug Delivery and Controlled Release)
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