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20 pages, 288 KB  
Article
The Journalist-as-Guest Format in Daily Deep Dive Podcasts: Building Authority Claims Through Metajournalistic Conversation
by Gabriela Perdomo and Mia Lindgren
Journal. Media 2026, 7(3), 132; https://doi.org/10.3390/journalmedia7030132 (registering DOI) - 24 Jun 2026
Abstract
This paper examines how conversational daily deep dive news podcasts build journalistic authority and legitimacy through what we call the “journalist-as-guest” (JAG) format. Applying a deep analytical listening methodology that honors the aurality of the medium and positions listening as a core analytical [...] Read more.
This paper examines how conversational daily deep dive news podcasts build journalistic authority and legitimacy through what we call the “journalist-as-guest” (JAG) format. Applying a deep analytical listening methodology that honors the aurality of the medium and positions listening as a core analytical method, we analyzed eight daily deep dive news podcasts from Canada and Australia, attending to how sonic elements interact with conversational performance to produce podcasting’s characteristic intimacy and parasocial listener bonds that support authority and legitimacy claims for journalism. Our findings expand on our previous identification of the JAG format as a key element of explanatory-type daily deep dive podcasts. Here, we reveal how it operates through three key mechanisms: recurring self-referential speech that reinforces journalistic cultural belonging; intentional unpacking of the reporting process to reveal behind-the-scenes work; and the careful construction of journalists as subject-matter experts. Together, these mechanisms transform performative conversation into metajournalism, creating a space in which journalistic expertise is displayed and validated through colleague-to-colleague dialogue. We term this dynamic “intimate authority.” We argue that the JAG format capitalizes on podcasting’s affordances for intimacy, parasociality, and extended metajournalistic conversation to invite audiences into the news-making process while positioning journalists as credible experts and sense-makers. In doing so, it functions as a mechanism for establishing authority and legitimacy claims in digital media environments. As daily news podcasting becomes increasingly central to remediation efforts aimed at restoring trust in journalism, both legacy and independent news podcasters appear to be counting on the JAG format as a strategic response to concurrent crises of news avoidance and relevance. Full article
26 pages, 6705 KB  
Article
Polyporusterone E, a Key Component of Polyporus umbellatus, as a Potential Regulator of CHEK 1 in Liver Cancer: Integrated Network Pharmacology, Bioinformatics, and Experimental Validation
by Xinhui Huang, Ruichen Gao, Xinran Yu, Zheng Feng, Qingxia Wang, Xiaotian Wu, Shulu Zhang, Yinze Zhong, Yeqing Xu, Meiting Jiang, Chunli Gan, Xiaotong Wang, Shuang Jiang and Chunjuan Yang
Int. J. Mol. Sci. 2026, 27(13), 5694; https://doi.org/10.3390/ijms27135694 (registering DOI) - 24 Jun 2026
Abstract
Hepatocellular carcinoma (HCC) is a lethal malignancy requiring novel therapeutic interventions. While Polyporus umbellatus exhibits anti-tumor properties, its specific bioactive pharmacophores and molecular mechanisms remain elusive. This study integrated network pharmacology, computational simulation, and experimental validation to decipher the anti-HCC efficacy of Polyporus [...] Read more.
Hepatocellular carcinoma (HCC) is a lethal malignancy requiring novel therapeutic interventions. While Polyporus umbellatus exhibits anti-tumor properties, its specific bioactive pharmacophores and molecular mechanisms remain elusive. This study integrated network pharmacology, computational simulation, and experimental validation to decipher the anti-HCC efficacy of Polyporus umbellatus. Screening identified 11 bioactive sterols, with intersection analysis revealing 63 core targets. Clinical data stratified Checkpoint Kinase 1 (CHEK1) as a critical high-risk oncogene associated with poor prognosis. Molecular dynamics simulations (100 ns) demonstrated that polyporusterone E, a key constituent, forms a thermodynamically stable complex with CHEK1 via high-affinity hydrogen bonding. In vitro assays in HepG2 and HuH-7 cells confirmed that CHEK1 overexpression drives proliferation and metastasis, while its silencing reverses these phenotypes. Crucially, treatment with Polyporus umbellatus extract and purified polyporusterone E significantly compromised HCC cell viability and downregulated CHEK1 expression at transcriptional and translational levels. These findings suggest that polyporusterone E may downregulate CHEK1 expression and modulate CHEK1-associated signaling in HCC cells, providing preliminary evidence for the molecular basis of Polyporus umbellatus and highlighting its potential as a complementary therapeutic strategy for HCC management. Full article
(This article belongs to the Section Molecular Informatics)
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17 pages, 1774 KB  
Article
Absorption-Dominated EMI Shielding in Electrically Insulating Hierarchical Graphene-Coated Glass Fiber/Carbon Black-Reinforced Epoxy Composites
by Muhammed Yilmaz and Metin Yurddaskal
Crystals 2026, 16(7), 408; https://doi.org/10.3390/cryst16070408 (registering DOI) - 24 Jun 2026
Abstract
Lightweight polymer composites with effective electromagnetic interference (EMI) shielding are of increasing interest for advanced electronic and aerospace applications; however, conventional glass fiber-reinforced polymers (GFRPs) exhibit inherently low electrical conductivity, limiting their shielding performance. In this study, a hierarchical hybrid conductive architecture was [...] Read more.
Lightweight polymer composites with effective electromagnetic interference (EMI) shielding are of increasing interest for advanced electronic and aerospace applications; however, conventional glass fiber-reinforced polymers (GFRPs) exhibit inherently low electrical conductivity, limiting their shielding performance. In this study, a hierarchical hybrid conductive architecture was developed by integrating graphene-coated multiaxial glass fiber fabrics with carbon black (CB)-reinforced epoxy matrices to enhance EMI shielding behavior in the X-band (8–12 GHz). Graphene coatings were deposited onto glass fibers via a surfactant-assisted ultrasonic dispersion method, while carbon black (0–1 wt.%) was incorporated into the epoxy matrix using ultrasonication-assisted mixing. Multilayer composites were fabricated using a vacuum bagging process. X-ray diffraction analysis revealed that the composites retained a predominantly amorphous epoxy/glass fiber matrix while exhibiting broad carbon-related diffraction features associated with disordered graphitic domains. Electrical conductivity measurements indicated that all composites remained in the insulating regime (~10−9 S/m), suggesting that a fully interconnected conductive network was not established within the investigated filler range. Despite the absence of a continuous conductive network, measurable EMI shielding performance was achieved. The composite containing 0.25 wt.% CB exhibited the highest shielding effectiveness, reaching approximately 12 dB at ~11.2 GHz. Analysis of the shielding contributions showed that absorption contributions (SEA) were consistently higher than reflection contributions (SER) across the studied frequency range. Morphological observations revealed that well-dispersed CB at low loading facilitated the formation of localized conductive domains that may contribute to tunneling-assisted polarization and interfacial charge accumulation. At higher CB contents, particle agglomeration reduced dispersion quality and limited effective pathway formation, while dynamic mechanical analysis indicated enhanced stiffness at low CB loading. FTIR results confirmed the absence of new chemical bonding, indicating that CB acts as a physically dispersed conductive filler. Overall, the results show that effective EMI shielding can be achieved in electrically insulating composites through the combined effect of hierarchical structural design and localized conductive features. This approach provides a practical pathway for developing lightweight EMI shielding materials with controlled filler loading and preserved structural integrity for aerospace and electronic applications. Full article
(This article belongs to the Section Inorganic Crystalline Materials)
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19 pages, 5984 KB  
Article
Grating-Based Fiber-Optic Sensing Using a Single Packaged FBG for Boundary-Dependent Motor Vibration-State Transitions
by Cheng-Yu Lin, Pei-Chung Liu, Cheng-Kai Yao, Shao-Chi Huang, Shi-Jia Huang, Sheng-Jie Chen and Peng-Chun Peng
Sensors 2026, 26(13), 3994; https://doi.org/10.3390/s26133994 (registering DOI) - 24 Jun 2026
Abstract
This study demonstrates single-channel fiber Bragg grating (FBG) sensing for relative vibration-state monitoring of a motor–support system under angle-dependent boundary conditions. A packaged FBG accelerometer-type sensing unit was mounted on the motor–support structure, and the reflected Bragg wavelength was recorded as a one-dimensional [...] Read more.
This study demonstrates single-channel fiber Bragg grating (FBG) sensing for relative vibration-state monitoring of a motor–support system under angle-dependent boundary conditions. A packaged FBG accelerometer-type sensing unit was mounted on the motor–support structure, and the reflected Bragg wavelength was recorded as a one-dimensional optical vibration response. Because the sensor was installed away from the rotating shaft, the measured wavelength fluctuation was interpreted as a coupled vibration-sensitive response of the motor, fixture, sensor package, bonding condition, and changing boundary state, rather than as a calibrated shaft speed or absolute acceleration signal. Adaptive variational mode decomposition (AVMD) was applied to track the time-varying narrowband spectral-response trajectory of the Bragg-wavelength signal. In parallel, raw wavelength windows were supplied to LSTM, 1D-CNN, and CNN–LSTM autoencoders to evaluate waveform departures from learned nominal fixed-angle behavior. The fixed-angle results showed stable but distinguishable optical vibration responses under different boundary states, whereas the dynamic angle-transition records produced local trajectory changes and alarm-candidate intervals. Baseline and autoencoder comparisons further clarified the trade-off between transition coverage and false-alarm tendency. The RMS threshold baseline was more sensitive to transition-related amplitude changes but produced more false alarms, whereas the CNN–LSTM autoencoder provided the most selective response among the tested autoencoder branches. The results are interpreted as task-specific evidence for relative vibration-state transition monitoring rather than as general motor fault diagnosis. Overall, the framework demonstrates a compact FBG-based route for relative vibration-state transition monitoring when speed references, dense sensor layouts, and labeled fault data are unavailable. Full article
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26 pages, 3632 KB  
Systematic Review
Digital Transformation in Green Finance: A Systematic Review of Business Informatics Frameworks for Green Bond Monitoring in the Circular Economy
by Riaman, Ema Carnia, Moch Panji Agung Saputra, Sukono, Nurnadiah Zamri, Nazla Aqira Maghfirani, Astrid Sulistya Azahra and Dede Irman Pirdaus
Informatics 2026, 13(7), 100; https://doi.org/10.3390/informatics13070100 (registering DOI) - 24 Jun 2026
Abstract
The rapid growth of the green bond market has intensified the need for transparent and reliable monitoring systems, particularly in circular-economy environments characterized by complex, multi-stakeholder, and dynamic interactions. However, existing monitoring approaches still rely heavily on static, issuer-driven disclosures, which sustain information [...] Read more.
The rapid growth of the green bond market has intensified the need for transparent and reliable monitoring systems, particularly in circular-economy environments characterized by complex, multi-stakeholder, and dynamic interactions. However, existing monitoring approaches still rely heavily on static, issuer-driven disclosures, which sustain information asymmetry and increase the risk of greenwashing. This study systematically reviews the role of digital technologies in enhancing green bond monitoring within circular economy systems. A systematic literature review (SLR) was conducted using the Scopus database, covering publications from 2022 to 2026 and yielding 56 eligible studies. A bibliometric analysis using VOSviewer identified major research trends, thematic clusters, and collaboration patterns within the field. The findings reveal four dominant technological pillars—blockchain, artificial intelligence (AI), Internet of Things (IoT), and digital twin—that support data verification, automated analytics, real-time environmental monitoring, and system-wide integration. Although these technologies show significant potential, the literature remains fragmented and lacks comprehensive monitoring architectures that integrate technological, governance, and regulatory dimensions. This study contributes to the literature by synthesizing these technologies through a business informatics perspective and highlighting digital twin architectures as a promising foundation for integrated green bond monitoring. The findings provide practical insights for regulators, issuers, and investors seeking interoperable, transparent, and trustworthy monitoring ecosystems that strengthen accountability and credibility in sustainable finance. Full article
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23 pages, 5710 KB  
Article
The Impact of Curing Conditions on the Microstructure and Resultant Macro-Performance of Manufactured Sand Concrete
by Hongmei Chen, Juan Zhou, Ronggui Liu, Jialei Wang and Yu Xiang
Materials 2026, 19(13), 2698; https://doi.org/10.3390/ma19132698 (registering DOI) - 23 Jun 2026
Abstract
This study comprehensively evaluates the mechanical properties, shrinkage behavior, and durability of concrete prepared with limestone- and granite-manufactured sands under standard-curing and steam-curing conditions. The results indicate that limestone-manufactured sand concrete consistently exhibits superior compressive strength and splitting tensile strength across all curing [...] Read more.
This study comprehensively evaluates the mechanical properties, shrinkage behavior, and durability of concrete prepared with limestone- and granite-manufactured sands under standard-curing and steam-curing conditions. The results indicate that limestone-manufactured sand concrete consistently exhibits superior compressive strength and splitting tensile strength across all curing ages, outperforming granite-modified counterparts. The introduction of granite-manufactured sand significantly degrades these mechanical properties, with deterioration intensifying as granite content increases. Dynamic elastic modulus and damping ratio analyses reveal that limestone-based concrete maintains the highest dynamic stiffness and lowest energy dissipation under both curing regimes, suggesting fewer internal defects. In contrast, granite incorporation reduces the dynamic elastic modulus and increases the damping ratio, reflecting structural deterioration and enhanced energy loss. Drying shrinkage tests demonstrate that limestone concrete achieves the lowest shrinkage deformation throughout the testing period, even under steam-curing conditions. Conversely, granite addition markedly elevates shrinkage, particularly under steam-curing conditions, leading to compromised volumetric stability. Durability assessments highlight that manufactured sand concrete exhibits higher capillary absorption, electrical flux, and porosity, attributed to inherent material defects and the surface characteristics of manufactured sand. Granite-modified concrete further weakens interfacial shear strength between aggregates and cement paste, indicating poor interfacial bonding. Steam curing exacerbates microstructural defects, emphasizing the need to optimize curing protocols. The findings propose strategies for enhancing manufactured sand concrete performance: improving interfacial adhesion between aggregates and cement paste, rationalizing supplementary material dosages, and refining steam curing regimes. These measures offer potential pathways to develop high-performance manufactured sand concrete with balanced mechanical and durability properties. Full article
(This article belongs to the Special Issue Microstructure and Properties of Sustainable Cement and Concrete)
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17 pages, 3941 KB  
Article
Strain-Engineered Electronic, Structural, and Optical Properties of FeS2 Monolayer: A First-Principles Study for Strain Sensor and Photovoltaic Applications in Flexible Electronics
by Yang Ping, Shuang Bao, Muhammad Naeem Tabassam, Hao Xu, Zhenzhou Zhang, Yinlong Pan, Heng Zhu, Saad Aslam and Naveed Ahmad
Micro 2026, 6(3), 46; https://doi.org/10.3390/micro6030046 (registering DOI) - 23 Jun 2026
Abstract
Two-dimensional (2D) materials have emerged as a key platform for next-generation electronics due to their atomic thickness and tunable properties. Iron disulfide (FeS2), known as pyrite, with a bandgap of ~0.95 eV, is suitable for solar energy applications. However, its performance [...] Read more.
Two-dimensional (2D) materials have emerged as a key platform for next-generation electronics due to their atomic thickness and tunable properties. Iron disulfide (FeS2), known as pyrite, with a bandgap of ~0.95 eV, is suitable for solar energy applications. However, its performance is limited by defects in bulk crystals. Reducing FeS2 to a single layer eliminates bulk defects and enables strain engineering of the bandgap. In this study, First-principles density functional theory (DFT) calculations are performed using the CASTEP code and the PBEsol functional to examine the structural, electronic, and optical properties of a distorted 1T′-phase FeS2 monolayer. Full geometry optimization yields lattice parameters a′ = 17.594 Å, b′ = 3.20231 Å, c′ = 5.28091 Å, and Fe–S bond angles of ~75.8° and ~98.2°, confirming symmetry-breaking distortion. The monolayer is dynamically stable, showing no imaginary modes in the phonon dispersion, and remains structurally intact up to 1000 K in molecular dynamics simulations. The unstrained system has an indirect bandgap of 0.70 eV, with the valence band maximum at the Γ point (dominated by S-p states) and conduction band minimum near the X point (Fe-d states). Under mechanical strain (±4%), the bandgap decreases significantly: from 0.70 eV to 0.44 eV under +4% tensile strain along the y-axis, and to 0.53 eV under −4% compressive strain. Biaxial strain causes weaker modulation, reducing the gap to 0.66 eV (+4%) and 0.62 eV (−4%). Optical absorption exceeds 104 cm−1 for photon energies above the bandgap, with tensile strain causing redshifts and compressive strain inducing blueshifts. These findings demonstrate that 2D FeS2 is mechanically robust, electronically tunable, and optically active, making it a promising candidate material for flexible strain sensors and photovoltaic devices. This work is intended to motivate and inform future synthesis efforts. Full article
(This article belongs to the Section Microscale Materials Science)
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18 pages, 8498 KB  
Article
Optimization of Ultrasound-Assisted Deep Eutectic Solvent Extraction and Mechanism Evaluation of Saponins from Panax japonicus
by Jing Wang, Zhengwen Li, Xia Zeng, Miao Zheng, Minqian Wang, Qianlong Duan, Yong Jiang, Jia Li and Zhengyou He
Molecules 2026, 31(13), 2200; https://doi.org/10.3390/molecules31132200 (registering DOI) - 23 Jun 2026
Abstract
This study investigated an efficient approach for extracting saponins from Panax japonicus using deep eutectic solvents (DES) coupled with ultrasound-assisted (UA) extraction, and compared its performance with the methanol extraction method. Twenty-six DES were screened, and choline chloride–urea was selected as the optimal [...] Read more.
This study investigated an efficient approach for extracting saponins from Panax japonicus using deep eutectic solvents (DES) coupled with ultrasound-assisted (UA) extraction, and compared its performance with the methanol extraction method. Twenty-six DES were screened, and choline chloride–urea was selected as the optimal solvent. The total extraction yield was evaluated based on the sum of the yields of chikusetsusaponin IVa (CS-IVa) and ginsenoside Ro (G-Ro). The extraction process was optimized using single-factor experiments combined with an orthogonal array design. Molecular dynamics (MD) simulation was applied to reveal the extraction mechanism at the molecular level. The results showed that the optimal conditions were as follows: a choline chloride-to-urea molar ratio of 1:3, a solid-to-liquid ratio of 1:50, a water content of 60%, an ultrasonic temperature of 40 °C, and an ultrasonic time of 60 min. Under these conditions, the total extraction yield of Panax japonicus saponins reached 7.4%, which was 13% higher than that obtained with the pharmacopeia methanol extraction method. MD simulation demonstrated that DES weakens intermolecular interactions among saponins through hydrogen bonds and van der Waals forces, promoting the dispersion of saponin aggregates and enabling efficient dissolution. Compared with CS-IVa, G-Ro displayed a more pronounced solvation effect, which was likely attributed to the difference in the number of polar sites in their molecular structures. The UA-DES extraction method established herein is green and efficient. It provides a practical reference for the industrial extraction of Panax japonicus saponins and a theoretical foundation for mechanistic studies on natural product extraction using DES. Full article
(This article belongs to the Section Green Chemistry)
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16 pages, 3205 KB  
Article
Nonlinear Modeling and Differential-Voltage Control of an Electrostatic MEMS Micromirror for Miniaturized Laser Communication Terminals
by Xuan Wang, Chen Wang, Meilin Xie, Zengxin Liu and Junfeng Han
Micromachines 2026, 17(6), 753; https://doi.org/10.3390/mi17060753 (registering DOI) - 22 Jun 2026
Abstract
Electrostatic MEMS micromirrors provide a compact and low-power beam-steering solution for miniaturized laser communication terminals. However, when they are used for quasi-static beam pointing rather than resonant scanning, the nonlinear voltage–angle relationship, bidirectional actuation asymmetry, and terminal-level installation errors can significantly degrade pointing [...] Read more.
Electrostatic MEMS micromirrors provide a compact and low-power beam-steering solution for miniaturized laser communication terminals. However, when they are used for quasi-static beam pointing rather than resonant scanning, the nonlinear voltage–angle relationship, bidirectional actuation asymmetry, and terminal-level installation errors can significantly degrade pointing accuracy. In this paper, a nonlinear modeling and differential-voltage control method is investigated for a two-axis electrostatic MEMS micromirror used in a miniaturized laser communication terminal. The device under test is a bonded aluminum MEMS micromirror with a 5.0 mm aperture. Static and dynamic characterization results show that the micromirror achieves maximum mechanical deflection angles of 5.215° and 5.161° along the X and Y axes, respectively, with resonant frequencies of 317 Hz and 319 Hz. To improve the accuracy of quasi-static pointing, the differential-voltage actuation principle is analyzed, and a nonlinear voltage–angle model is established based on measured deflection data. Compared with a first-order linear model, the cubic nonlinear model reduces the root-mean-square fitting error from 0.142° to 0.0127° for the X axis and from 0.132° to 0.0109° for the Y axis. Furthermore, a terminal-level calibration architecture based on a quadrant detector is introduced to map the MEMS angular deflection to the received spot position. The proposed modeling and calibration approach provides an actuator-level basis for accurate beam pointing and closed-loop acquisition in miniaturized laser communication terminals. Full article
(This article belongs to the Special Issue MEMS/NEMS Devices and Applications, 4th Edition)
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15 pages, 6283 KB  
Article
Robust Polyurethane Hydrogels Based on Dynamic Disulfide Bonds and Pendant Tertiary Amines with Room-Temperature Self-Healing and pH Responsiveness
by Xia Ding, Bing Yang, Xinyi Si, Lei Ni, Chao Fang and Zhaosheng Hou
Gels 2026, 12(6), 555; https://doi.org/10.3390/gels12060555 (registering DOI) - 20 Jun 2026
Viewed by 69
Abstract
Hydrogels have garnered significant attention due to their tunable structures and broad applicability in biomedical and smart materials. However, achieving a balance between excellent mechanical performance and multifunctionality remains a major challenge. In this study, a series of multifunctional polyurethane hydrogels (PUGs) was [...] Read more.
Hydrogels have garnered significant attention due to their tunable structures and broad applicability in biomedical and smart materials. However, achieving a balance between excellent mechanical performance and multifunctionality remains a major challenge. In this study, a series of multifunctional polyurethane hydrogels (PUGs) was developed by integrating dynamic disulfide bonds and pendant tertiary amine groups into poly(ethylene glycol)-based networks using a solvent-exchange method. Structural characterization confirmed the successful formation of a crosslinked porous network. The hydrogels demonstrated remarkable mechanical properties, with PUG–II exhibiting a tensile strength of 448 kPa and an elongation at break of 489%, as well as exceptional compressibility (371 kPa at 90% strain) and fatigue resistance. Meanwhile, the PUGs displayed efficient room-temperature self-healing with a healing efficiency of up to 94.5%. The reversible protonation of tertiary amine groups imparted pronounced pH-responsive swelling behavior, with the equilibrium swelling ratio of PUG–I at pH 2.0 being 5.8 times higher than that at pH 12.0. This study provides a promising strategy for developing PU-based hydrogels that combine robust mechanical performance and multifunctionality, offering potential for advanced smart material applications. Full article
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14 pages, 1907 KB  
Article
Ultrafast Photochemical Reaction Dynamics of 3-Phenyl-1,4,2-dioxazol-5-one Revealed by Femtosecond Time-Resolved Infrared Spectroscopy
by Seongbeom Jeon, Juhyang Shin, Seongchul Park, Hyeonwoong Bae, Jongwoo Son and Manho Lim
Int. J. Mol. Sci. 2026, 27(12), 5563; https://doi.org/10.3390/ijms27125563 (registering DOI) - 19 Jun 2026
Viewed by 115
Abstract
Dioxazolones are important precursors for generating nitrenes (highly reactive intermediates widely used for carbon–nitrogen bond formation in organic synthesis) upon exposure to light or heat. The photochemical reaction dynamics of 3-phenyl-1,4,2-dioxazol-5-one in CHCl3 were investigated using femtosecond time-resolved infrared spectroscopy and electronic [...] Read more.
Dioxazolones are important precursors for generating nitrenes (highly reactive intermediates widely used for carbon–nitrogen bond formation in organic synthesis) upon exposure to light or heat. The photochemical reaction dynamics of 3-phenyl-1,4,2-dioxazol-5-one in CHCl3 were investigated using femtosecond time-resolved infrared spectroscopy and electronic structure calculations. Photoexcitation at 267 nm rapidly populates an excited singlet state that serves as the key branching point for subsequent photophysical and photochemical processes. Transient infrared spectra reveal the formation of carbon dioxide, phenyl isocyanate, and singlet benzoyl nitrene through their characteristic vibrational features. Kinetic analysis shows that decarboxylation from the excited singlet state occurs with a time constant of 4.7 ± 1 ns, producing phenyl isocyanate and benzoyl nitrene with time constants of 8.1 ± 2 ns and 11 ± 3 ns, respectively. Competing relaxation pathways include internal conversion to the ground state (7.5 ± 2 ns) and intersystem crossing to the T1 state (25 ± 5 ns). The T1 state relaxes to the ground state (350 ± 30 ns) without contributing to product formation. These results demonstrate that both isocyanate and nitrene products originate from the S1 state and provide detailed mechanistic insight into the competing pathways governing dioxazolone photochemistry in solution. Full article
(This article belongs to the Special Issue Spectroscopic Techniques in Molecular Sciences, 2nd Edition)
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22 pages, 32128 KB  
Article
Atomistic Mechanisms of Silicone Rubber Degradation Under Coupled Temperature–Humidity–Electric Field Conditions
by Yiheng Zhou, Zhijun An, Yixin He, Cong Qian, Qiuhua Zhou, Wentian Zeng, Xinhan Qiao and Wenyu Ye
Polymers 2026, 18(12), 1530; https://doi.org/10.3390/polym18121530 (registering DOI) - 19 Jun 2026
Viewed by 258
Abstract
Silicone rubber is an important external insulating material for composite bushings, composite insulators, and other power equipment. During long-term service, it is inevitably exposed to coupled environmental and electrical stresses, such as elevated temperature, moisture ingress, strong electric fields, and partial discharge, which [...] Read more.
Silicone rubber is an important external insulating material for composite bushings, composite insulators, and other power equipment. During long-term service, it is inevitably exposed to coupled environmental and electrical stresses, such as elevated temperature, moisture ingress, strong electric fields, and partial discharge, which may lead to hydrophobicity loss, surface chalking, crack propagation, and particle shedding. To reveal the microscopic degradation mechanism of silicone rubber under complex operating conditions, a molecular model of methyl vinyl silicone rubber was constructed using Materials Studio. A stable silicone rubber molecular structure was obtained through crosslinking, geometry optimization, and ensemble relaxation. Subsequently, a reactive molecular dynamics simulation system under coupled temperature–humidity–electric field conditions was established using LAMMPS and the ReaxFF reactive force field. Different temperature gradients, electric field intensities, and aging–recovery stages were designed to investigate the degradation behavior of silicone rubber. The evolution of the maximum carbon content, maximum silicon content, carbon-containing decomposition products, and typical small-molecule products, including H2, H2O, CH4, C2H2, C2H4, and C2H6, was statistically analyzed. In addition, atomic trajectory tracking was performed to clarify the processes of methyl group detachment, Si-O bond cleavage, water molecule participation, and molecular chain reconstruction. The results show that high temperature mainly promotes methyl group detachment from side chains and fracture of the siloxane main chain, while a strong electric field accelerates the decomposition process and induces the transformation of long siloxane chains into shorter chains. Water molecules can react with broken siloxane chains to form hydroxyl-containing structures, making the structural degradation partially irreversible. The degradation process of silicone rubber under coupled temperature–humidity–electric field stress can be summarized as side-chain detachment, main-chain scission, water-assisted reactions, free-radical recombination, and local molecular aggregation. This study provides a molecular-level theoretical basis for aging mechanism analysis, condition assessment, and lifetime prediction of composite external insulating materials. Full article
(This article belongs to the Section Polymer Analysis and Characterization)
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17 pages, 4675 KB  
Article
Molecular Mechanism of Rice Protein Amyloid Fibrils in Modulating Gel Properties of Northern Pike (Esox lucius) Muscle Protein
by Jiayi Ren, Huilin Huang, Yan Sun, Shijie Bi, Songgang Xia and Xiaoming Jiang
Foods 2026, 15(12), 2209; https://doi.org/10.3390/foods15122209 - 18 Jun 2026
Viewed by 205
Abstract
Northern pike (Esox lucius) myofibrillar protein (MP) forms inherently weak gels due to endogenous proteolytic activity and the low thermal stability of fish myosin, limiting its application in surimi products. This study investigated the reinforcing effect and underlying mechanism of rice [...] Read more.
Northern pike (Esox lucius) myofibrillar protein (MP) forms inherently weak gels due to endogenous proteolytic activity and the low thermal stability of fish myosin, limiting its application in surimi products. This study investigated the reinforcing effect and underlying mechanism of rice protein amyloid fibrils (RFs) on pike MP gels. Dynamic rheology revealed that RFs increased both the storage and loss moduli in a concentration-dependent manner, with the 5% group exhibiting an approximately threefold increase in the G′ at 100 rad/s relative to the control. The gel strength, hardness, and chewiness increased progressively with the RF content, whereas the water-holding capacity peaked at 1–3% RFs and declined sharply at 5% RFs. Microstructural imaging showed that moderate RF levels promoted a dense, homogeneous network architecture, while excessive RFs induced phase separation and structural heterogeneity. Hydrophobic interactions and hydrogen bonds were strengthened via RF incorporation, while disulfide bonds decreased monotonically with the increasing fibril concentration. FTIR spectroscopy revealed an α-helix-to-β-sheet transition, with the β-sheet content reaching a maximum of 49.37% at 3% RFs, and SDS-PAGE confirmed that the RF–MP interactions were predominantly non-covalent in nature. These results demonstrate that RFs reinforce pike MP gels through a molecular mechanism involving rigid fibrils acting as structural scaffolds within the protein network and a progressive shift from disulfide-mediated covalent crosslinking toward non-covalent stabilization via hydrophobic interactions and hydrogen bonding. The 1–3% RF range delivers the most balanced gel properties, while excessive fibril loading at 5% induces over-aggregation and impairs water retention. These findings establish amyloid fibrils as effective structural modifiers for freshwater fish gel products and provide a mechanistic basis for their application in surimi processing. Full article
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45 pages, 40068 KB  
Article
Effect of Triple Fiber Reinforcement on the Properties and Microstructure of Ultra-High-Performance Concrete
by Nitish Kumar, Rami Eid, Lev Vaikhanski and Konstantin Kovler
Buildings 2026, 16(12), 2428; https://doi.org/10.3390/buildings16122428 - 18 Jun 2026
Viewed by 212
Abstract
Ultra-high-performance concrete (UHPC) is known for its exceptional compressive strength and durability; however, its brittle nature requires fiber reinforcement to improve toughness and tensile performance. This study investigates the synergistic effects of triple fiber reinforcement, including desized and sized carbon fibers (0.2–1.0 vol%), [...] Read more.
Ultra-high-performance concrete (UHPC) is known for its exceptional compressive strength and durability; however, its brittle nature requires fiber reinforcement to improve toughness and tensile performance. This study investigates the synergistic effects of triple fiber reinforcement, including desized and sized carbon fibers (0.2–1.0 vol%), steel fibers (1.0 vol%), and polypropylene fibers (0.2 vol%) on the fresh, mechanical, durability, microstructure, and fire resistance properties of UHPC. The experimental program included workability, compressive and flexural strength, load-deflection behavior, electrical resistivity, dynamic modulus of elasticity, SEM analysis, and fire resistance at elevated temperatures (425 and 900 °C). The results showed that desized carbon fibers performed better than sized fibers by improving workability, fiber dispersion, flexural behavior, and fiber–matrix bonding. The optimal triple-fiber composition, DC1.0P0.2S1.0, achieved the highest flexural strength of 24 MPa while maintaining compressive strength above 141 MPa. The triple-fiber system provided effective multi-scale crack control, where PP fibers prevented explosive spalling, carbon fibers bridged meso-crack control, and steel fibers enhanced macro-crack load transfer and ductility. SEM analysis further confirmed better dispersion and stronger interfacial bonding of desized carbon fibers. Overall, the optimized triple-fiber system significantly improved flexural performance, toughness, workability, and fire resistance without notably reducing compressive strength, demonstrating strong potential for advanced structural applications. Full article
(This article belongs to the Topic Green Construction Materials and Construction Innovation)
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23 pages, 18708 KB  
Article
Effects of Temperature, Stoichiometric Ratio, and Crystal Orientation on the Nanoindentation Response of ZrC: A Molecular Dynamics Study
by Guiyu Liu, Hongya Zheng, Fugen Deng, Yulu Zhou and Yifang Ouyang
Materials 2026, 19(12), 2581; https://doi.org/10.3390/ma19122581 - 15 Jun 2026
Viewed by 106
Abstract
The nanoindentation analysis of zirconium carbide (ZrC) has been studied through molecular dynamics simulations, focusing on various factors such as temperature, stoichiometric ratio, and crystal orientation. The findings show that as temperature increases, both the critical pop-in load and the maximum load decrease, [...] Read more.
The nanoindentation analysis of zirconium carbide (ZrC) has been studied through molecular dynamics simulations, focusing on various factors such as temperature, stoichiometric ratio, and crystal orientation. The findings show that as temperature increases, both the critical pop-in load and the maximum load decrease, while atomic strain, von Mises stress, and residual indentation depth increase. High temperatures facilitate the nucleation and propagation of 1/2<110> dislocations, which enhance the material’s ability to undergo plastic deformation. Both indentation hardness and Young’s modulus decrease linearly as temperature rises or the concentration of C vacancy increases. For stoichiometric ZrC, as the temperature rises from 10 K to 2100 K, the hardness decreases from 45.04 GPa to 20.36 GPa, and Young’s modulus drops from 396.28 GPa to 254.45 GPa. At 10 K, when the C/Zr ratio is reduced to 0.5, the hardness and Young modulus decrease to 25.32 GPa and 192.09 GPa, respectively. This reduction is attributed to the weakening of Zr-C bonds, which also reduces stress concentration. At elevated temperatures, the impact of C vacancies on the nanoindentation process diminishes due to the thermal softening of the substrate, which lessens the effects of vacancy-induced softening. Regarding anisotropy, Young’s modulus at room temperature decreases from 383.39 GPa on the (001) plane to 335.93 GPa on the (11-0) plane, and it reduces further to 303.31 GPa on the (11-1) plane; hardness shows a similar decreasing trend. This trend is primarily due to differences in slip systems, surface energies, and the angles between the plane normal and the Zr-C bond axis located directly beneath the surface atoms. Overall, these results may provide theoretical support for the processing and application of ZrC. Full article
(This article belongs to the Section Materials Simulation and Design)
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