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Search Results (265)

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9 pages, 1938 KiB  
Brief Report
Single-Component Silicon-Containing Polyurethane for High-Performance Waterproof and Breathable Nanofiber Membranes
by Dongxu Lu, Yanbing Li, Yake Chai, Ximei Wen, Liming Chen and Sanming Sun
Fibers 2025, 13(8), 105; https://doi.org/10.3390/fib13080105 - 5 Aug 2025
Abstract
High-performance waterproof and breathable nanofiber membranes (WBNMs) are in great demand for various advanced applications. However, the fabrication of such membranes often relies on fluorinated materials or involves complex preparation processes, limiting their practical use. In this study, we present an innovative approach [...] Read more.
High-performance waterproof and breathable nanofiber membranes (WBNMs) are in great demand for various advanced applications. However, the fabrication of such membranes often relies on fluorinated materials or involves complex preparation processes, limiting their practical use. In this study, we present an innovative approach by utilizing silicon-containing polyurethane (SiPU) as a single-component, fluorine-free raw material to prepare high-performance WBNMs via a simple one-step electrospinning process. The electrospinning technique enables the formation of SiPU nanofibrous membranes with a small maximum pore size (dmax) and high porosity, while the intrinsic hydrophobicity of SiPU imparts excellent water-repellent characteristics to the membranes. As a result, the single-component SiPU WBNM exhibits superior waterproofness and breathability, with a hydrostatic pressure of 52 kPa and a water vapor transmission rate (WVTR) of 5798 g m−2 d−1. Moreover, the optimized SiPU-14 WBNM demonstrates outstanding mechanical properties, including a tensile strength of 6.15 MPa and an elongation at break of 98.80%. These findings indicate that the single-component SiPU-14 WBNMs not only achieve excellent waterproof and breathable performance but also possess robust mechanical strength, thereby enhancing the comfort and expanding the potential applications of protective textiles, such as outdoor apparel and car seats. Full article
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21 pages, 3648 KiB  
Article
Preparation and Physicochemical Evaluation of Ionically Cross-Linked Chitosan Nanoparticles Intended for Agricultural Use
by Maria Karayianni, Emi Haladjova, Stanislav Rangelov and Stergios Pispas
Polysaccharides 2025, 6(3), 67; https://doi.org/10.3390/polysaccharides6030067 - 1 Aug 2025
Viewed by 178
Abstract
The search for sustainable, economically viable, and effective plant protection strategies against pathogenic bacteria, fungi, and viruses is a major challenge in modern agricultural practices. Chitosan (CS) is an abundant cationic natural biopolymer known for its biocompatibility, low toxicity, and antimicrobial properties. Its [...] Read more.
The search for sustainable, economically viable, and effective plant protection strategies against pathogenic bacteria, fungi, and viruses is a major challenge in modern agricultural practices. Chitosan (CS) is an abundant cationic natural biopolymer known for its biocompatibility, low toxicity, and antimicrobial properties. Its potential use in agriculture for pathogen control is a promising alternative to traditional chemical fertilisers and pesticides, which raise concerns regarding public health, environmental protection, and pesticide resistance. This study focused on the preparation of chitosan nanoparticles (CS-NPs) through cross-linking with organic molecules, such as tannic acid (TA). Various formulations were explored for the development of stable nanoscale particles having encapsulation capabilities towards low compounds of varying polarity and with potential agricultural applications relevant to plant health and growth. The solution properties of the NPs were assessed using dynamic and electrophoretic light scattering (DLS and ELS); their morphology was observed through atomic force microscopy (AFM), while analytical ultracentrifugation (AUC) measurements provided insights into their molar mass. Their properties proved to be primarily influenced by the concentration of CS, which significantly affected its intrinsic conformation. Additional structural insights were obtained via infrared and UV–Vis spectroscopic measurements, while detailed fluorescence analysis with the use of three different probes, as model cargo molecules, provided information regarding the hydrophobic and hydrophilic microdomains within the particles. Full article
(This article belongs to the Collection Bioactive Polysaccharides)
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15 pages, 2594 KiB  
Article
Novel Zwitterionic Hydrogels with High and Tunable Toughness for Anti-Fouling Application
by Kefan Wu, Xiaoyu Guo, Jingyao Feng, Xiaoxue Yang, Feiyang Li, Xiaolin Wang and Hui Guo
Gels 2025, 11(8), 587; https://doi.org/10.3390/gels11080587 - 30 Jul 2025
Viewed by 189
Abstract
Zwitterionic hydrogels have emerged as eco-friendly anti-fouling materials owing to their superior hydration-mediated resistance to biofouling. Nevertheless, their practical utility remains constrained by intrinsically poor mechanical robustness. Herein, this study proposes a novel strategy to develop novel tough zwitterionic hydrogels by freezing the [...] Read more.
Zwitterionic hydrogels have emerged as eco-friendly anti-fouling materials owing to their superior hydration-mediated resistance to biofouling. Nevertheless, their practical utility remains constrained by intrinsically poor mechanical robustness. Herein, this study proposes a novel strategy to develop novel tough zwitterionic hydrogels by freezing the gels’ polymer network. As a proof of concept, a zwitterionic hydrogel was synthesized via copolymerization of hydrophobic monomer phenyl methacrylate (PMA) and hydrophilic cationic monomer N-(3-dimethylaminopropyl) methacrylamide (DMAPMA), followed by post-oxidation to yield a zwitterionic structure. At service temperature, the rigid and hydrophobic PMA segments remain frozen, while the hydrophilic zwitterionic units maintain substantial water content by osmotic pressure. Synergistically, the zwitterionic hydrogel achieves robust toughness and adhesiveness, with high rigidity (66 MPa), strength (4.78 MPa), and toughness (2.53 MJ/m3). Moreover, the hydrogel exhibits a distinct temperature-dependent behavior by manifesting softer and more stretchable behavior after heating, since the thawing of the gel network at high temperatures increases segmental mobility. Therefore, it achieved satisfactory adhesiveness to substrates (80 kPa). Additionally, the hydrogel demonstrated remarkable anti-fouling performance, effectively suppressing biofilm formation and larval attachment. In summary, this work opens up promising prospects for the development of zwitterionic hydrogels with high application potential. Full article
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32 pages, 4464 KiB  
Review
Multifunctional Polyimide for Packaging and Thermal Management of Electronics: Design, Synthesis, Molecular Structure, and Composite Engineering
by Xi Chen, Xin Fu, Zhansheng Chen, Zaiteng Zhai, Hongkang Miu and Peng Tao
Nanomaterials 2025, 15(15), 1148; https://doi.org/10.3390/nano15151148 - 24 Jul 2025
Viewed by 465
Abstract
Polyimide, a class of high-performance polymers, is renowned for its exceptional thermal stability, mechanical strength, and chemical resistance. However, in the context of high-integration and high-frequency electronic packaging, polyimides face critical challenges including relatively high dielectric constants, inadequate thermal conductivity, and mechanical brittleness. [...] Read more.
Polyimide, a class of high-performance polymers, is renowned for its exceptional thermal stability, mechanical strength, and chemical resistance. However, in the context of high-integration and high-frequency electronic packaging, polyimides face critical challenges including relatively high dielectric constants, inadequate thermal conductivity, and mechanical brittleness. Recent advances have focused on molecular design and composite engineering strategies to address these limitations. This review first summarizes the intrinsic properties of polyimides, followed by a systematic discussion of chemical synthesis, surface modification approaches, molecular design principles, and composite fabrication methods. We comprehensively examine both conventional polymerization synthetic routes and emerging techniques such as microwave-assisted thermal imidization and chemical vapor deposition. Special emphasis is placed on porous structure engineering via solid-template and liquid-template methods. Three key modification strategies are highlighted: (1) surface modifications for enhanced hydrophobicity, chemical stability, and tribological properties; (2) molecular design for optimized dielectric performance and thermal stability; and (3) composite engineering for developing high-thermal-conductivity materials with improved mechanical strength and electromagnetic interference (EMI) shielding capabilities. The dielectric constant of polyimide is reduced while chemical stability and wear resistance can be enhanced through the introduction of fluorine groups. Ultra-low dielectric constant and high-temperature resistance can be achieved by employing rigid monomers and porous structures. Furthermore, the incorporation of fillers such as graphene and boron nitride can endow the composite materials with high thermal conductivity, excellent EMI shielding efficiency, and improved mechanical properties. Finally, we discuss representative applications of polyimide and composites in electronic device packaging, EMI shielding, and thermal management systems, providing insights into future development directions. Full article
(This article belongs to the Special Issue Functional and Structural Properties of Polymeric Nanocomposites)
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18 pages, 4038 KiB  
Article
Highly Efficient and Stable Ni-Cs/TS-1 Catalyst for Gas-Phase Propylene Epoxidation with H2 and O2
by Ziyan Mi, Huayun Long, Yuhua Jia, Yue Ma, Cuilan Miao, Yan Xie, Xiaomei Zhu and Jiahui Huang
Catalysts 2025, 15(7), 694; https://doi.org/10.3390/catal15070694 - 21 Jul 2025
Viewed by 400
Abstract
The development of non-noble metal catalysts for gas-phase propylene epoxidation with H2/O2 remains challenging due to their inadequate activity and stability. Herein, we report a Cs+-modified Ni/TS-1 catalyst (9%Ni-Cs/TS-1), which exhibits unprecedented catalytic performance, giving a state-of-the-art PO [...] Read more.
The development of non-noble metal catalysts for gas-phase propylene epoxidation with H2/O2 remains challenging due to their inadequate activity and stability. Herein, we report a Cs+-modified Ni/TS-1 catalyst (9%Ni-Cs/TS-1), which exhibits unprecedented catalytic performance, giving a state-of-the-art PO formation rate of 382.9 gPO·kgcat−1·h−1 with 87.8% selectivity at 200 °C. The catalyst stability was sustainable for 150 h, far surpassing reported Ni-based catalysts. Ni/TS-1 exhibited low catalytic activity. However, the Cs modification significantly enhanced the performance of Ni/TS-1. Furthermore, the intrinsic reason for the enhanced performance was elucidated by multiple techniques such as XPS, N2 physisorption, TEM, 29Si NMR, NH3-TPD-MS, UV–vis, and so on. The findings indicated that the incorporation of Cs+ markedly boosted the reduction of Ni, enhanced Ni0 formation, strengthened Ni-Ti interactions, reduced acid sites to inhibit PO isomerization, improved the dispersion of Ni nanoparticles, reduced particle size, and improved the hydrophobicity of Ni/TS-1 to facilitate propylene adsorption/PO desorption. The 9%Ni-Cs/TS-1 catalyst demonstrated exceptional performance characterized by a low cost, high activity, and long-term stability, offering a viable alternative to Au-based systems. Full article
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24 pages, 4254 KiB  
Review
Zein-Based Nanocarriers: Advances in Oral Drug Delivery
by Yuxin Liu, Dongyu An, Xiangjian Meng, Shiming Deng and Guijin Liu
Pharmaceutics 2025, 17(7), 944; https://doi.org/10.3390/pharmaceutics17070944 - 21 Jul 2025
Viewed by 491
Abstract
Oral administration remains the preferred drug delivery route but faces formidable gastrointestinal barriers, including enzymatic degradation, solubility limitations, and poor epithelial absorption. Zein-based nanocarriers (ZBNs), derived from maize prolamin, provide a transformative platform to address these challenges. This review synthesizes recent advances in [...] Read more.
Oral administration remains the preferred drug delivery route but faces formidable gastrointestinal barriers, including enzymatic degradation, solubility limitations, and poor epithelial absorption. Zein-based nanocarriers (ZBNs), derived from maize prolamin, provide a transformative platform to address these challenges. This review synthesizes recent advances in ZBNs’ design, highlighting their intrinsic advantages: structural stability across pH gradients, self-assembly versatility, and a surface functionalization capacity. Critically, we detail how engineered ZBNs overcome key barriers, such as enzymatic/chemical protection via hydrophobic encapsulation, the enhanced mucus penetration or adhesion through surface engineering, and improved epithelial transport via ligand conjugation. Applications demonstrate their efficacy in stabilizing labile therapeutics, enhancing the solubility of BCS Class II/IV drugs, enabling pH-responsive release, and significantly boosting oral bioavailability. Remaining challenges in scalability and translational predictability warrant future efforts toward multifunctional systems, bio-interfacial modeling, and continuous manufacturing. This work positions ZBNs as a potential platform for the oral delivery of BCS Class II–IV drugs’ in the biopharmaceutics classification system. Full article
(This article belongs to the Special Issue Recent Advances in Peptide and Protein-Based Drug Delivery Systems)
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16 pages, 2358 KiB  
Article
Enhancing Polycaprolactone with Levulinic Acid-Extracted Lignin: Toward Sustainable Bio-Based Polymer Blends
by Elodie Melro, Hugo Duarte, Filipe E. Antunes, Artur J. M. Valente, Anabela Romano and Bruno Medronho
J. Compos. Sci. 2025, 9(7), 366; https://doi.org/10.3390/jcs9070366 - 14 Jul 2025
Viewed by 249
Abstract
The growing demand for sustainable materials has intensified the search for biodegradable polymers. Poly(ε-caprolactone) (PCL), though biodegradable, is fossil-derived. In this study, a novel lignin extracted from pine wood using a green solvent was incorporated into PCL and compared with commercial lignins (dealkaline, [...] Read more.
The growing demand for sustainable materials has intensified the search for biodegradable polymers. Poly(ε-caprolactone) (PCL), though biodegradable, is fossil-derived. In this study, a novel lignin extracted from pine wood using a green solvent was incorporated into PCL and compared with commercial lignins (dealkaline, alkaline, and lignosulfonate). The lignin additions imparted antioxidant properties, enhanced thermal stability, and promoted circular economy goals through lignin valorization. Notably, the green-extracted lignin showed superior compatibility with PCL when compared with commercial lignins, as evidenced by lower water uptake and solubility, and improved surface hydrophobicity (higher contact angle). Although the addition of lignin reduced the tensile strength and elongation at break, it greatly increased the PCL radical scavenging activity (DPPH) from 8 ± 1% of neat PCL to 94.8 ± 0.3% when 20 wt% of lignin-LA was added. Among the tested lignins, lignin-LA stands out as the most promising candidate to be applied as a functional additive in biodegradable polymer blends and composites for advanced sustainable applications. Not only given its intrinsically higher sustainability but also due to its capacity for improving the thermal properties of PCL–lignin blends. Full article
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17 pages, 8301 KiB  
Article
Composites of Pea Protein Nanofibril and Epigallocatechin Gallate: Formation Mechanism, Structural Characterization, and Antioxidant Activity
by Hailing Zhang, Yangxuan Yang, Yuting Fan and Jiang Yi
Foods 2025, 14(14), 2418; https://doi.org/10.3390/foods14142418 - 9 Jul 2025
Viewed by 307
Abstract
The EGCG/PPN composite, prepared by combining pea protein nanofibrils (PPNs) with epigallocatechin gallate (EGCG), could be used as a multifunctional nanocarrier. Compared to pea protein isolate (PPI), EGCG/PPN composites exhibited remarkably higher turbidity and zeta potential, along with similar UV spectra. Intrinsic fluorescence [...] Read more.
The EGCG/PPN composite, prepared by combining pea protein nanofibrils (PPNs) with epigallocatechin gallate (EGCG), could be used as a multifunctional nanocarrier. Compared to pea protein isolate (PPI), EGCG/PPN composites exhibited remarkably higher turbidity and zeta potential, along with similar UV spectra. Intrinsic fluorescence spectroscopy, ThT fluorescence spectroscopy, and surface hydrophobicity analysis suggested that the interactions between EGCG and PPN were primarily driven by hydrophobic forces. UV spectra indicated that the microenvironment of amino acid residues in the tertiary structure of the protein changes upon complexation, and circular dichroism (CD) revealed that the incorporation of EGCG increases the β-sheet content in the protein’s secondary structure. Analyses of DPPH and ABTS radical scavenging activity, as well as reducing power, demonstrated that the synergistic effect between EGCG and PPN did not hinder the inherent antioxidant properties of EGCG but rather enhanced them significantly. Transmission electron microscopy (TEM) images showed that the addition of EGCG reconstructed the fibril morphology, thereby affecting the properties of PPNs. Overall, the composite fabricated through the interaction between PPN and EGCG shows great potential as a nanocarrier in the processing of functional foods. Full article
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13 pages, 1764 KiB  
Article
Functionalization of Oligosiloxane for Polyester Comonomer
by Satoru Saotome, Jiaorong Kuang, Reina Akashi, Momoko Takahashi, Yujia Liu, Takayuki Iijima and Masafumi Unno
Molecules 2025, 30(13), 2775; https://doi.org/10.3390/molecules30132775 - 27 Jun 2025
Viewed by 298
Abstract
This paper proposes a new functionalized oligosiloxane as a comonomer for polyester, designed to provide hydrophobic surface properties and enhance low-temperature impact resistance. The functionalization of polymer resin itself has attracted attention in the context of monomaterialization. Chemically designing the primary structure of [...] Read more.
This paper proposes a new functionalized oligosiloxane as a comonomer for polyester, designed to provide hydrophobic surface properties and enhance low-temperature impact resistance. The functionalization of polymer resin itself has attracted attention in the context of monomaterialization. Chemically designing the primary structure of not only polymers but also monomers is crucial for enhancing the intrinsic performance of the resin. However, little is known about oligosiloxane monomers for polyester that can provide oligosiloxane-like properties such as hydrophobicity and flexibility at low temperatures. Here, we report the functional design of a polyester material through silicone copolymerization. A novel comonomer was designed and synthesized to optimize both the molecular structure and the compatibility of the silicone segments, promoting uniform copolymer formation. Incorporating silicone into the polymer matrix reduced surface energy, thereby improving water repellency. Furthermore, the flexibility imparted by the silicone components effectively mitigated the brittleness of polyester at sub-zero temperatures, resulting in superior impact resistance. Structural analysis, contact angle measurements, and low-temperature impact tests were conducted on the copolymers. The results confirmed that optimizing comonomer design enables significant enhancement of both hydrophobicity and impact durability, contributing to the development of high-performance polyester materials suitable for demanding environments. Full article
(This article belongs to the Section Macromolecular Chemistry)
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19 pages, 5413 KiB  
Article
A Dual-Signal Ratiometric Optical Sensor Based on Natural Pine Wood and Platinum(II) Octaethylporphyrin with High Performance for Oxygen Detection
by Zhongxing Zhang, Yujie Niu, Hongbo Mu, Jingkui Li, Jinxin Wang and Ting Liu
Sensors 2025, 25(13), 3967; https://doi.org/10.3390/s25133967 - 26 Jun 2025
Viewed by 280
Abstract
Optical oxygen sensors have attracted considerable attention owing to their high sensitivity, rapid response, and broad applicability. However, their test results may be affected by fluctuations in the pump light source and instability of the detection equipment. In this study, the intrinsic luminescence [...] Read more.
Optical oxygen sensors have attracted considerable attention owing to their high sensitivity, rapid response, and broad applicability. However, their test results may be affected by fluctuations in the pump light source and instability of the detection equipment. In this study, the intrinsic luminescence of pine wood was utilized as the reference signal, and the luminescence of platinum(II) octaethylporphyrin (PtOEP) was employed as the oxygen indication signal, to fabricate a dual-signal ratiometric oxygen sensor PtOEP/PDMS@Pine. The ratio of the luminescence of pine wood to that of PtOEP was defined as the optical parameter (OP). OP increased linearly with oxygen concentration ([O2]) in the range of 10–100 kPa, and a calibration curve was obtained. The sensor exhibits excellent anti-interference capabilities, effectively resisting fluctuations from laser sources and detection equipment. It also displays stable hydrophobicity with a contact angle of 118.3° and maintains excellent photostability under continuous illumination. The sensor exhibited long-term stability within 90 days and robust recovery performance during cyclic tests, wherein the response time and recovery time were determined to be 1.4 s and 1.7 s, respectively. Finally, the effects of temperature fluctuations and photobleaching on the sensor’s performance have been effectively corrected, enabling accurate oxygen concentration measurements in complex environments. Full article
(This article belongs to the Section Optical Sensors)
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22 pages, 2616 KiB  
Article
Interactions in Lidocaine-Carboxylic Acid-Based Deep Eutectic Solvents: Implications for Cobalt Extraction
by Zaichao Dong, Rong Zhang, Jiyan Chen, Chenghao Qu, Xin Wang, Chen Cong, Yang Liu and Lingyun Wang
Colloids Interfaces 2025, 9(3), 40; https://doi.org/10.3390/colloids9030040 - 18 Jun 2025
Viewed by 545
Abstract
The limited understanding of intermolecular interactions in deep eutectic solvents (DESs) has restricted their rational design and broader application. In this study, a series of hydrophobic DESs (HDESs) were prepared using lidocaine as the hydrogen bond acceptor and various carboxylic acids as hydrogen [...] Read more.
The limited understanding of intermolecular interactions in deep eutectic solvents (DESs) has restricted their rational design and broader application. In this study, a series of hydrophobic DESs (HDESs) were prepared using lidocaine as the hydrogen bond acceptor and various carboxylic acids as hydrogen bond donors. Their physicochemical properties, including density, viscosity, and thermal stability, were systematically characterized. Interactions between components were evaluated through excess molar volume, viscosity deviation, and Grunberg–Nissan parameters. Strong hydrogen bonding between lidocaine and carboxylic acids was confirmed, which weakened with increasing alkyl chain length of the acids. Furthermore, as the acid content in the mixture increased, lidocaine’s ability to disrupt the intrinsic hydrogen-bonding network of the carboxylic acids decreased, thereby weakening the hydrogen bonding interactions between the components. The extraction capability of the HDESs for cobalt ions was evaluated in aqueous systems. Cobalt, a key material in lithium-ion batteries and advanced alloys, is in rising demand due to clean energy development. The lidocaine/decanoic acid (1:2) system exhibited nearly 100% extraction efficiency, surpassing conventional extractants. The hydrophobic nature of the HDESs facilitated effective phase separation and reduced solvent loss. These findings provide theoretical insights and design principles for developing high performance HDESs tailored for environmentally friendly metal recovery, particularly in battery recycling and treatment of industrial wastewater. Full article
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18 pages, 6070 KiB  
Article
A Non-Vacuum Coating Process That Fully Achieves Technical Goals of Bipolar Plates via Synergistic Control of Multiple Layer-by-Layer Strategy
by Qiaoling Liu, Xiaole Chen, Menghan Wu, Weihao Wang, Yinru Lin, Zilong Chen, Shuhan Yang, Yuhui Zheng and Qianming Wang
Molecules 2025, 30(12), 2543; https://doi.org/10.3390/molecules30122543 - 11 Jun 2025
Viewed by 437
Abstract
The primary challenge associated with stainless steel in fuel cell operation is its susceptibility to corrosion, which leads to increased contact resistance and subsequent degradation of electrochemical performance. In general, the protective layers have been loaded onto the metal surface by widely used [...] Read more.
The primary challenge associated with stainless steel in fuel cell operation is its susceptibility to corrosion, which leads to increased contact resistance and subsequent degradation of electrochemical performance. In general, the protective layers have been loaded onto the metal surface by widely used traditional techniques such as physical vapor deposition (PVD), or cathode arc ion plating. However, the above sputtering and evaporation ways require a high-vacuum condition, complicated experimental setups, higher costs, and an elevated temperature. Therefore, herein the achievement for uniform coatings over a large surface area has been realized by using a cost-effective strategy through a complete wet chemical process. The synergistic regulation of two conductive components and a plastic additive has been employed together with the entrapment of a surfactant to optimize the microstructure of the coating surface. The assembly of layered graphite and a polystyrene sphere could maintain both the high corrosion resistance feature and excellent electrical conductivity. In particular, the intrinsic vacant space in the above physical barriers has been filled with fine powders of indium tin oxide (ITO) due to its small size, and the interconnected conductive network with vertical/horizontal directions would be formed. All the key technical targets based on the U.S. Department of Energy (DOE) have been achieved under the simulated operating environments of a proton exchange membrane fuel cell. The corrosion current density has been measured as low as 0.52 μA/cm2 (for the sample of graphite/mixed layer) over the applied potentials from −0.6 V to 1.2 V and its protective efficiency is evaluated to be 99.8%. The interfacial contact resistance between the sample and the carbon paper is much less than 10 mΩ·cm2 (3.4 mΩ·cm2) under a contact pressure of 165 N/cm2. The wettability has been investigated and its contact angle has been evolved from 48° (uncoated sample) to even 110°, providing superior hydrophobicity to prevent water penetration. Such an innovative approach opens up new possibilities for improving the durability and reducing the costs of carbon-based coatings. Full article
(This article belongs to the Special Issue Inorganic Chemistry in Asia)
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32 pages, 2557 KiB  
Article
Ensemble-Based Binding Free Energy Profiling and Network Analysis of the KRAS Interactions with DARPin Proteins Targeting Distinct Binding Sites: Revealing Molecular Determinants and Universal Architecture of Regulatory Hotspots and Allosteric Binding
by Mohammed Alshahrani, Vedant Parikh, Brandon Foley and Gennady Verkhivker
Biomolecules 2025, 15(6), 819; https://doi.org/10.3390/biom15060819 - 5 Jun 2025
Viewed by 725
Abstract
KRAS is a pivotal oncoprotein that regulates cell proliferation and survival through interactions with downstream effectors such as RAF1. Despite significant advances in understanding KRAS biology, the structural and dynamic mechanisms of KRAS allostery remain poorly understood. In this study, we employ microsecond [...] Read more.
KRAS is a pivotal oncoprotein that regulates cell proliferation and survival through interactions with downstream effectors such as RAF1. Despite significant advances in understanding KRAS biology, the structural and dynamic mechanisms of KRAS allostery remain poorly understood. In this study, we employ microsecond molecular dynamics simulations, mutational scanning, and binding free energy calculations together with dynamic network modeling to dissect how engineered DARPin proteins K27, K55, K13, and K19 engage KRAS through diverse molecular mechanisms ranging from effector mimicry to conformational restriction and allosteric modulation. Mutational scanning across all four DARPin systems identifies a core set of evolutionarily constrained residues that function as universal hotspots in KRAS recognition. KRAS residues I36, Y40, M67, and H95 consistently emerge as critical contributors to binding stability. Binding free energy computations show that, despite similar binding modes, K27 relies heavily on electrostatic contributions from major binding hotspots while K55 exploits a dense hydrophobic cluster enhancing its effector-mimetic signature. The allosteric binders K13 and K19, by contrast, stabilize a KRAS-specific pocket in the α3–loop–α4 motif, introducing new hinges and bottlenecks that rewire the communication architecture of KRAS without full immobilization. Network-based analysis reveals a strikingly consistent theme: despite their distinct mechanisms of recognition, all systems engage a unifying allosteric architecture that spans multiple functional motifs. This architecture is not only preserved across complexes but also mirrors the intrinsic communication framework of KRAS itself, where specific residues function as central hubs transmitting conformational changes across the protein. By integrating dynamic profiling, energetic mapping, and network modeling, our study provides a multi-scale mechanistic roadmap for targeting KRAS, revealing how engineered proteins can exploit both conserved motifs and isoform-specific features to enable precision modulation of KRAS signaling in oncogenic contexts. Full article
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18 pages, 2225 KiB  
Article
Promoting Effects of Different Organic Acids on the Formation of Transglutaminase-Induced Cross-Linked Soybean Protein Isolate Hydrogels
by Xiangquan Zeng, Linlin Peng, Sirong Liu, Haoluan Wang, He Li, Yu Xi and Jian Li
Foods 2025, 14(11), 1965; https://doi.org/10.3390/foods14111965 - 31 May 2025
Viewed by 531
Abstract
Microbial transglutaminase (mTG) is most frequently utilized in order to increase the gelling properties of soybean protein isolate (SPI), but there are still some limitations of mTG-based hydrogel fabrication technology. Therefore, we aimed to develop a dual modification technique based on enzyme plus [...] Read more.
Microbial transglutaminase (mTG) is most frequently utilized in order to increase the gelling properties of soybean protein isolate (SPI), but there are still some limitations of mTG-based hydrogel fabrication technology. Therefore, we aimed to develop a dual modification technique based on enzyme plus organic acid treatment to fabricate SPI hydrogels with high gel strength and stability. Our results showed that mTG plus glucose-δ-lactone (GDL), lactobionic acid (LBA) or maltobionic acid (MBA) treatment could significantly improve the gel strength, textural properties, and water-holding capacity of SPI hydrogels. Also, the addition of these organic acids remarkably reduced the surface hydrophobicity (H0) and intrinsic fluorescence as well as increased the storage modulus (G′), loss modulus (G″) values, average particle size, and the absolute value of zeta potential of samples. GDL, LBA, or MBA greatly increased the β-sheet level and decreased the α-helix level in hydrogels, as well as dissociated 11S subunits of SPI into 7S subunits. Notably, covalent interactions, hydrogen bonding, and hydrophobic interactions of three organic acids with SPI, as well as the effects of organic acids on the interactions among the intramolecular and intermolecular forces of SPI molecules, contributed to their promoting effects on the formation of hydrogels. The LF-NMR and SEM analyses confirmed the effects of GDL, LBA, and MBA on converting the free water into immobilized and bound water as well as forming a dense stacked aggregate structure. Therefore, GDL, LBA, and MBA are promising agents to be combined with mTG in the fabrication of SPI hydrogels with high gel strength and stability. Full article
(This article belongs to the Section Food Physics and (Bio)Chemistry)
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17 pages, 7796 KiB  
Article
Silk-Soy Alloy Materials: Influence of Silk Types (Mori, Thai, Muga, Tussah, and Eri) on the Structure, Properties, and Functionality of Insect–Plant Protein Blends (II)
by Nagireddy Poluri, Christopher R. Gough, Joseph Perrotta, Joseph Pinto, Maxwell Cohen, Steven Sanderlin, Christopher Velardo, Anthony Barca and Xiao Hu
Int. J. Mol. Sci. 2025, 26(10), 4563; https://doi.org/10.3390/ijms26104563 - 9 May 2025
Cited by 1 | Viewed by 580
Abstract
Natural proteins present a sustainable and biocompatible alternative to conventional fossil fuel-derived plastics, with versatile applications in fields ranging from medicine to food packaging. Extending our previous research on silk–corn zein composites, this study utilizes soy protein—another plant protein extensively employed within biomedical [...] Read more.
Natural proteins present a sustainable and biocompatible alternative to conventional fossil fuel-derived plastics, with versatile applications in fields ranging from medicine to food packaging. Extending our previous research on silk–corn zein composites, this study utilizes soy protein—another plant protein extensively employed within biomedical applications—in conjunction with silk fibroin proteins extracted from a variety of domestic (Mori and Thai) and wild (Muga, Tussah, and Eri) silkworm species. By combining these proteins in varying ratios (0%, 10%, 25%, 50%, 75%, 90%, and 100%), silk–soy films were successfully fabricated with high miscibility. The structural and thermal stability of these films was confirmed through various characterization techniques, including Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), and scanning electron microscopy (SEM). Structural refinements were then achieved through post-water annealing treatments. After annealing, it was observed that when soy protein was introduced into both types of silk, the silks exhibited a greater amount of intermolecular and intramolecular β-sheet content. This phenomenon can be attributed to soy’s intrinsic ability to self-assemble into β-sheets through electrostatic and hydrophobic interactions, which also improved the overall thermal stability and morphology of the composite films. The unique self-assembling properties of soy and its ability to promote β-sheet formation facilitate the customization of the silk source and the soy-to-silk ratio. This adaptability establishes protein-based thin films as a versatile and sustainable option for diverse applications in fields such as medicine, tissue engineering, food packaging, and beyond. Full article
(This article belongs to the Collection Feature Papers in 'Macromolecules')
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