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24 pages, 5797 KiB  
Article
Topical Meglumine Antimoniate Gel for Cutaneous Leishmaniasis: Formulation, Evaluation, and In Silico Insights
by Lilian Sosa, Lupe Carolina Espinoza, Alba Pujol, José Correa-Basurto, David Méndez-Luna, Paulo Sarango-Granda, Diana Berenguer, Cristina Riera, Beatriz Clares-Naveros, Ana Cristina Calpena, Rafel Prohens and Marcelle Silva-Abreu
Gels 2025, 11(8), 601; https://doi.org/10.3390/gels11080601 (registering DOI) - 1 Aug 2025
Abstract
Leishmaniasis is an infectious disease common in tropical and subtropical regions worldwide. This study aimed to develop a topical meglumine antimoniate gel (MA-gel) for the treatment of cutaneous leishmaniasis. The MA-gel was characterized in terms of morphology, pH, swelling, porosity, rheology, and thermal [...] Read more.
Leishmaniasis is an infectious disease common in tropical and subtropical regions worldwide. This study aimed to develop a topical meglumine antimoniate gel (MA-gel) for the treatment of cutaneous leishmaniasis. The MA-gel was characterized in terms of morphology, pH, swelling, porosity, rheology, and thermal properties by differential scanning calorimetry (DSC). Biopharmaceutical evaluation included in vitro drug release and ex vivo skin permeation. Safety was evaluated through biomechanical skin property measurements and cytotoxicity in HaCaT and RAW 267 cells. Leishmanicidal activity was tested against promastigotes and amastigotes of Leishmania infantum, and in silico studies were conducted to explore possible mechanisms of action. The composition of the MA-gel included 30% MA, 20% Pluronic® F127 (P407), and 50% water. Scanning electron microscopy revealed a sponge-like and porous internal structure of the MA-gel. This formula exhibited a pH of 5.45, swelling at approximately 12 min, and a porosity of 85.07%. The DSC showed that there was no incompatibility between MA and P407. Drug release followed a first-order kinetic profile, with 22.11 µg/g/cm2 of the drug retained in the skin and no permeation into the receptor compartment. The MA-gel showed no microbial growth, no cytotoxicity in keratinocytes, and no skin damage. The IC50 for promastigotes and amastigotes of L. infantum were 3.56 and 23.11 µg/mL, respectively. In silico studies suggested that MA could act on three potential therapeutic targets according to its binding mode. The MA-gel demonstrated promising physicochemical, safety, and antiparasitic properties, supporting its potential as a topical treatment for cutaneous leishmaniasis. Full article
(This article belongs to the Special Issue Functional Hydrogels: Design, Processing and Biomedical Applications)
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19 pages, 4697 KiB  
Article
The Delamination Behaviour of Basalt Fibre-Reinforced In Situ-Polymerisable Acrylic and Epoxy Composites: A Sustainable Solution for Marine Applications
by Mohamad Alsaadi, Tomas Flanagan, Daniel P. Fitzpatrick and Declan M. Devine
Sustainability 2025, 17(15), 6967; https://doi.org/10.3390/su17156967 (registering DOI) - 31 Jul 2025
Abstract
This research paper employed novel sustainable alternative materials to reduce the environmental impact of thermoset/synthetic fibre composites. The effect of seawater hydrothermal ageing at 45 °C for 45 and 90 days on the physical and interlaminar fracture toughness (mode I and mode II) [...] Read more.
This research paper employed novel sustainable alternative materials to reduce the environmental impact of thermoset/synthetic fibre composites. The effect of seawater hydrothermal ageing at 45 °C for 45 and 90 days on the physical and interlaminar fracture toughness (mode I and mode II) of a semi-unidirectional non-crimp basalt fibre (BF)-reinforced acrylic matrix and epoxy matrix composites was investigated. Optical and scanning electron microscopes were used to describe the fracture and interfacial failure mechanisms. The results show that the BF/Elium composite exhibited higher fracture toughness properties compared to the BF/Epoxy composite. The results of the mode I and mode II interlaminar fracture toughness values for the BF/Elium composite were 1280 J/m2 and 2100 J/m2, which are 14% and 56% higher, respectively, than those of the BF/Epoxy composite. The result values for both composites were normalised with respect to the density of each composite laminate. The saturated moisture content and diffusion coefficient values of seawater-aged samples at 45 °C and room temperature for the BF/Elium and BF/Epoxy composites were analysed. Both composites exhibited signs of polymer matrix decomposition and fibre surface degradation under the influence of seawater hydrothermal ageing, resulting in a reduction in the mode II interlaminar fracture toughness values. Enhancement was observed in mode I fracture toughness under hydrothermal ageing, particularly for the BF/Epoxy composite, due to matrix plasticisation and fibre bridging. Full article
(This article belongs to the Section Sustainable Materials)
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28 pages, 5780 KiB  
Article
Multiscale Modeling and Dynamic Mutational Profiling of Binding Energetics and Immune Escape for Class I Antibodies with SARS-CoV-2 Spike Protein: Dissecting Mechanisms of High Resistance to Viral Escape Against Emerging Variants
by Mohammed Alshahrani, Vedant Parikh, Brandon Foley and Gennady Verkhivker
Viruses 2025, 17(8), 1029; https://doi.org/10.3390/v17081029 - 23 Jul 2025
Viewed by 428
Abstract
The rapid evolution of SARS-CoV-2 has underscored the need for a detailed understanding of antibody binding mechanisms to combat immune evasion by emerging variants. In this study, we investigated the interactions between Class I neutralizing antibodies—BD55-1205, BD-604, OMI-42, P5S-1H1, and P5S-2B10—and the receptor-binding [...] Read more.
The rapid evolution of SARS-CoV-2 has underscored the need for a detailed understanding of antibody binding mechanisms to combat immune evasion by emerging variants. In this study, we investigated the interactions between Class I neutralizing antibodies—BD55-1205, BD-604, OMI-42, P5S-1H1, and P5S-2B10—and the receptor-binding domain (RBD) of the SARS-CoV-2 spike protein using multiscale modeling, which combined molecular simulations with the ensemble-based mutational scanning of the binding interfaces and binding free energy computations. A central theme emerging from this work is that the unique binding strength and resilience to immune escape of the BD55-1205 antibody are determined by leveraging a broad epitope footprint and distributed hotspot architecture, additionally supported by backbone-mediated specific interactions, which are less sensitive to amino acid substitutions and together enable exceptional tolerance to mutational escape. In contrast, BD-604 and OMI-42 exhibit localized binding modes with strong dependence on side-chain interactions, rendering them particularly vulnerable to escape mutations at K417N, L455M, F456L and A475V. Similarly, P5S-1H1 and P5S-2B10 display intermediate behavior—effective in some contexts but increasingly susceptible to antigenic drift due to narrower epitope coverage and concentrated hotspots. Our computational predictions show strong agreement with experimental deep mutational scanning data, validating the accuracy of the models and reinforcing the value of binding hotspot mapping in predicting antibody vulnerability. This work highlights that neutralization breadth and durability are not solely dictated by epitope location, but also by how binding energy is distributed across the interface. The results provide atomistic insight into mechanisms driving resilience to immune escape for broadly neutralizing antibodies targeting the ACE2 binding interface—which stems from cumulative effects of structural diversity in binding contacts, redundancy in interaction patterns and reduced vulnerability to mutation-prone positions. Full article
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24 pages, 3329 KiB  
Article
Isolation of a Novel Streptomyces sp. TH05 with Potent Cyanocidal Effects on Microcystis aeruginosa
by Xuhan Wang, Siqi Zhu, Shenchen Tao, Shaoyong Zhang, Ruijun Wang and Liqin Zhang
Toxins 2025, 17(7), 354; https://doi.org/10.3390/toxins17070354 - 17 Jul 2025
Viewed by 431
Abstract
In this paper, cultivable actinobacteria were isolated, cultured, and identified from the heavily algal-bloomed waters of Taihu Lake using 16S rRNA gene sequencing. Among the isolates, a single strain exhibiting vigorous cyanocidal activity against Microcystis aeruginosa FACHB-905 was selected for further investigation. The [...] Read more.
In this paper, cultivable actinobacteria were isolated, cultured, and identified from the heavily algal-bloomed waters of Taihu Lake using 16S rRNA gene sequencing. Among the isolates, a single strain exhibiting vigorous cyanocidal activity against Microcystis aeruginosa FACHB-905 was selected for further investigation. The cyanocidal efficacy and underlying mechanisms of this strain, designated TH05, were assessed through using chlorophyll content, cyanobacterial inhibition rate, and cyanobacterial cell morphology measurements. In addition, oxidative stress responses, expression of key functional genes in FACHB-905, and variations in microcystin concentrations were comprehensively evaluated. Cyanobacterial blooms caused by Microcystis aeruginosa pose serious ecological and public health threats due to the release of microcystins (MCs). In this study, we evaluated the cyanocidal activity and mechanism of a novel actinomycete strain, Streptomyces sp. TH05. Optimization experiments revealed that a light–dark cycle of 12 h/12 h, temperature of 25 °C, and pH 7 significantly enhanced cyanocidal efficacy. Under these conditions, TH05 achieved an 84.31% inhibition rate after seven days of co-cultivation with M. aeruginosa. Scanning electron microscopy revealed two distinct cyanocidal modes: direct physical attachment of TH05 mycelia to cyanobacterial cells, causing cell wall disruption, and indirect membrane damage via extracellular bioactive compounds. Biochemical analyses showed increased levels of malondialdehyde (MDA), superoxide dismutase (SOD), and catalase (CAT) during the first five days, peaking at 2.47-, 2.12-, and 1.91-fold higher than control levels, respectively, indicating elevated oxidative stress. Gene expression analysis using elf-p as a reference showed that TH05 modulated key genes associated with photosynthesis (PsaB, PstD1, PstD2, RbcL), DNA repair and stress response (RecA, FtsH), and microcystin biosynthesis (McyA, McyD). All genes were upregulated except for RbcL, which was downregulated. In parallel, microcystin content peaked at 32.25 ng/L on day 1 and decreased to 16.16 ng/L by day 9, which was significantly lower than that of the control group on day 9 (29.03 ng/L). These findings suggest that strain TH05 exhibits potent and multifaceted cyanocidal activity, underscoring its potential for application in the biological control of cyanobacterial blooms. Full article
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24 pages, 7332 KiB  
Article
High-Performance Natural Dye-Sensitized Solar Cells Employing a New Semiconductor: Gd2Ru2O7 Pyrochlore Oxide
by Assohoun F. Kraidy, Abé S. Yapi, Joseph K. Datte, Michel Voue, Mimoun El Marssi, Anthony Ferri and Yaovi Gagou
Condens. Matter 2025, 10(3), 38; https://doi.org/10.3390/condmat10030038 - 14 Jul 2025
Viewed by 573
Abstract
We investigated a novel natural dye-sensitized solar cell (DSSC) utilizing gadolinium ruthenate pyrochlore oxide Gd2Ru2O7 (GRO) as a photoanode and compared its performance to the TiO2-Gd2Ru2O7 (TGRO) combined-layer configuration. The films [...] Read more.
We investigated a novel natural dye-sensitized solar cell (DSSC) utilizing gadolinium ruthenate pyrochlore oxide Gd2Ru2O7 (GRO) as a photoanode and compared its performance to the TiO2-Gd2Ru2O7 (TGRO) combined-layer configuration. The films were fabricated using the spin-coating technique, resulting in spherical grains with an estimated mean diameter of 0.2 µm, as observed via scanning electron microscopy (SEM). This innovative photoactive gadolinium ruthenate pyrochlore oxide demonstrated strong absorption in the visible range and excellent dye adhesion after just one hour of exposure to natural dye. X-ray diffraction confirmed the presence of the pyrochlore phase, where Raman spectroscopy identified various vibration modes characteristic of the pyrochlore structure. Incorporating Gd2Ru2O7 as the photoanode significantly enhanced the overall efficiency of the DSSCs. The device configuration FTO/compact-layer/Gd2Ru2O7/Hibiscus-sabdariffa/electrolyte(I/I3)/Pt achieved a high efficiency of 9.65%, an open-circuit voltage (Voc) of approximately 3.82 V, and a current density of 4.35 mA/cm2 for an active surface area of 0.38 cm2. A mesoporous TiO2-based DSSC was fabricated under the same conditions for comparison. Using impedance spectroscopy and cyclic voltammetry measurements, we provided evidence of the mechanism of conductivity and the charge carrier’s contribution or defect contributions in the DSSC cells to explain the obtained Voc value. Through cyclic voltammetry measurements, we highlight the redox activities of hibiscus dye and electrolyte (I/I3), which confirmed electrochemical processes in addition to a photovoltaic response. The high and unusual obtained Voc value was also attributed to the presence in the photoanode of active dipoles, the layer thickness, dye concentration, and the nature of the electrolyte. Full article
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23 pages, 7915 KiB  
Article
Beyond Algorithm Updates: A Systematic Validation of GPM DPR-V07 over China’s Multiscale Topography
by Jia Song, Haiwei Zhang, Yi Lyu, Hao Wu, Fei Zhang, Xu Ma and Bin Yong
Remote Sens. 2025, 17(14), 2410; https://doi.org/10.3390/rs17142410 - 12 Jul 2025
Viewed by 351
Abstract
The Global Precipitation Measurement (GPM) mission’s Dual-Frequency Precipitation Radar (DPR) serves as a critical benchmark for calibrating satellite-based precipitation products, with its retrieval quality directly governing the accuracy of global precipitation estimates. While the updated version 07 (DPR-V07) algorithm introduces substantial refinements over [...] Read more.
The Global Precipitation Measurement (GPM) mission’s Dual-Frequency Precipitation Radar (DPR) serves as a critical benchmark for calibrating satellite-based precipitation products, with its retrieval quality directly governing the accuracy of global precipitation estimates. While the updated version 07 (DPR-V07) algorithm introduces substantial refinements over its predecessor (DPR-V06), systematic evaluations of its operational advancements in precipitation monitoring remain limited. This study utilizes ground-based rain gauge data from Mainland China (2015–2018) to assess improvements of DPR-V07 over its predecessor’s (DPR-V06) effects. The results indicate that DPR-V07 reduces the high-altitude precipitation underestimation by 5% (vs. V06) in the west (W) and corrects the elevation-linked overestimation via an improved terrain sensitivity. The seasonal analysis demonstrates winter-specific advancements of DPR-V07, with a 3–8% reduction in the miss bias contributing to a lower total bias. However, the algorithm updates yield unintended trade-offs: the High-Sensitivity Scan (HS) mode exhibits significant detection performance degradation, particularly in east (E) and midwest (M) regions, with Critical Success Index (CSI) values decreasing by approximately 0.12 compared to DPR-V06. Furthermore, summer error components show a minimal improvement, suggesting unresolved challenges in warm-season retrieval physics. This study establishes a systematic framework for evaluating precipitation retrieval advancements, providing critical insights for future satellite algorithm development and operational applications in hydrometeorological monitoring. Full article
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16 pages, 2914 KiB  
Article
Designing Polymeric Multifunctional Nanogels for Photothermal Inactivation: Exploiting Conjugate Polymers and Thermoresponsive Platforms
by Ignacio Velzi, Edith Ines Yslas and Maria Molina
Pharmaceutics 2025, 17(7), 827; https://doi.org/10.3390/pharmaceutics17070827 - 25 Jun 2025
Viewed by 350
Abstract
Background/Objectives: Photothermal therapy (PTT) is an emerging minimally invasive strategy in biomedicine that converts near-infrared (NIR) light into localized heat for the targeted inactivation of pathogens and tumor cells. Methods and Results: In this study, we report the synthesis and characterization [...] Read more.
Background/Objectives: Photothermal therapy (PTT) is an emerging minimally invasive strategy in biomedicine that converts near-infrared (NIR) light into localized heat for the targeted inactivation of pathogens and tumor cells. Methods and Results: In this study, we report the synthesis and characterization of thermoresponsive nanogels composed of poly (N-isopropylacrylamide-co-N-isopropylmethylacrylamide) (PNIPAM-co-PNIPMAM) semi-interpenetrated with polypyrrole (PPy), yielding monodisperse particles of 377 nm diameter. Spectroscopic analyses—including 1H-NMR, FTIR, and UV-Vis—confirmed successful copolymer formation and PPy incorporation, while TEM images revealed uniform spherical morphology. Differential scanning calorimetry established a volumetric phase transition temperature of 38.4 °C, and photothermal assays demonstrated a ΔT ≈ 10 °C upon 10 min of 850 nm NIR irradiation. In vitro antimicrobial activity tests against Pseudomonas aeruginosa (ATCC 15692) showed a dose-time-dependent reduction in bacterial viability, with up to 4 log CFU/mL. Additionally, gentamicin-loaded nanogels achieved 38.7% encapsulation efficiency and exhibited stimulus-responsive drug release exceeding 75% under NIR irradiation. Conclusions: Combined photothermal and antibiotic therapy yielded augmented bacterial killing, underscoring the potential of PPy-interpenetrated nanogels as smart, dual-mode antimicrobials. Full article
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16 pages, 7535 KiB  
Article
Effects of Current Output Modes on Corrosion Resistance of Micro-Arc Oxidation Black Coatings on Aluminum Alloy
by Shiquan Zhou, Rui Tong, Hongtao Li, Xiang Tao and Jian Chen
Materials 2025, 18(13), 2949; https://doi.org/10.3390/ma18132949 - 22 Jun 2025
Cited by 1 | Viewed by 480
Abstract
In this work, micro-arc oxidation (MAO) under constant- and gradient-current modes was used to modify the surface of 6061 aluminum alloy. A black coating was created in situ on the alloy surface by controlling the spark discharge parameters during MAO. Using an electrochemical [...] Read more.
In this work, micro-arc oxidation (MAO) under constant- and gradient-current modes was used to modify the surface of 6061 aluminum alloy. A black coating was created in situ on the alloy surface by controlling the spark discharge parameters during MAO. Using an electrochemical workstation (Metrohm Autolab, PGSTAT302 N, Herisau, Switzerland), energy-dispersive spectroscopy (EDS, JEOL, JSM-IT500A, Tokyo Metropolis, Japan), and scanning electron microscopy (SEM, JEOL, JSM-7900F, Tokyo Metropolis, Japan), the effects of the current output modes on the coating growth rate, energy consumption, colorimetric parameters (L*, a*, b*), microstructure, and corrosion resistance were methodically examined. The findings showed that the gradient-current mode (6 → 4 → 2 A/dm2) greatly lowered the micropore size (from 3.89 μm to 1.52 μm) and improved the coating compactness (porosity dropped by 40%), and all coatings satisfied the necessary blackness criterion (L* < 30). Additionally, this mode achieved excellent corrosion resistance, as demonstrated by a one-order-of-magnitude reduction in the corrosion current density (2.55 × 10−8 A/cm2 vs. 2.34 × 10−7 A/cm2), while minimizing the energy consumption (2.37 kW·h/m2·μm vs. 3.45 kW·h/m2·μm for constant current). Full article
(This article belongs to the Special Issue Surface Technology and Coatings Materials)
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25 pages, 21149 KiB  
Article
Enhancing Conventional Land Surveying for Cadastral Documentation in Romania with UAV Photogrammetry and SLAM
by Lucian O. Dragomir, Cosmin Alin Popescu, Mihai V. Herbei, George Popescu, Roxana Claudia Herbei, Tudor Salagean, Simion Bruma, Catalin Sabou and Paul Sestras
Remote Sens. 2025, 17(13), 2113; https://doi.org/10.3390/rs17132113 - 20 Jun 2025
Cited by 1 | Viewed by 682
Abstract
This study presents an integrated surveying methodology for efficient and accurate cadastral documentation, combining UAV photogrammetry, SLAM-based terrestrial and aerial scanning, and conventional geodetic measurements. Designed to be scalable across various cadastral and planning contexts, the workflow was tested in Charlottenburg, Romania’s only [...] Read more.
This study presents an integrated surveying methodology for efficient and accurate cadastral documentation, combining UAV photogrammetry, SLAM-based terrestrial and aerial scanning, and conventional geodetic measurements. Designed to be scalable across various cadastral and planning contexts, the workflow was tested in Charlottenburg, Romania’s only circular heritage village. The approach addresses challenges in built environments where traditional total station or GNSS techniques face limitations due to obstructed visibility and complex architectural geometries. The SLAM system was initially deployed in mobile scanning mode using a backpack configuration for ground-level data acquisition, and was later mounted on a UAV to capture building sides and areas inaccessible from the main road. The results demonstrate that the integration of aerial and terrestrial data acquisition enables precise building footprint extraction, with a reported RMSE of 0.109 m between the extracted contours and ground-truth total station measurements. The final cadastral outputs are fully compatible with GIS and CAD systems, supporting efficient land registration, urban planning, and historical site documentation. The findings highlight the method’s applicability for modernizing cadastral workflows, particularly in dense or irregularly structured areas, offering a practical, accurate, and time-saving solution adaptable to both national and international land administration needs. Beyond the combination of known technologies, the innovation lies in the practical integration of terrestrial and aerial SLAM (dual SLAM) with RTK UAV workflows under real-world constraints, offering a field-validated solution for complex cadastral scenarios where traditional methods are limited. Full article
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11 pages, 1840 KiB  
Article
Passively Mode-Locked Tm:YAP Laser Utilizing a Mo2TiAlC2 MAX Phase Saturable Absorber for Modulation
by Chen Wang, Tianjie Chen, Zhe Meng, Sujian Niu, Zhaoxue Li and Xining Yang
Photonics 2025, 12(6), 610; https://doi.org/10.3390/photonics12060610 - 13 Jun 2025
Viewed by 300
Abstract
This study reports a novel MAX phase material, Mo2TiAlC2, as a passively mode-locking (PML) saturable absorber (SA) for a Tm:YAP laser operating in the 2 μm wavelength range. The systematic characterization of its nonlinear optical properties was quantitatively analyzed [...] Read more.
This study reports a novel MAX phase material, Mo2TiAlC2, as a passively mode-locking (PML) saturable absorber (SA) for a Tm:YAP laser operating in the 2 μm wavelength range. The systematic characterization of its nonlinear optical properties was quantitatively analyzed using I-scan methodology, demonstrating a significant modulation depth of 3.5%, which indicated strong nonlinear optical activity. Within the realm of optimal cavity conditions, a remarkable performance by the PML configuration can be discerned. A stable pulsed emission was manifested at 1937 nm, wherein an average output power reaching 620 mW was achieved. A pulse temporal span of 989.5 ps was acquired with a corresponding repetition frequency of 103.1 MHz, indicating robust mode-locked synchronization. Notably, the beam quality factors (M2) along the orthogonal spatial axes were observed with values measuring 1.12 and 1.18, respectively, indicating propagation characteristics close to those of diffraction-limited beams. Full article
(This article belongs to the Special Issue Advances in Ultrafast Laser Science and Applications)
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17 pages, 3255 KiB  
Article
Novel Aerogel Structure of β-Eucryptite: Featuring Low Density, High Specific Surface Area, and Negative Thermal Expansion Coefficient
by Haoren Ma, Sijia Liu, Jinyi Ren, Xiaochan Liu, Weiyi Zhang, Ying Zhu, Zhipeng Yuan, Jinxu Zhu and Xibin Yi
Gels 2025, 11(6), 440; https://doi.org/10.3390/gels11060440 - 9 Jun 2025
Viewed by 899
Abstract
Traditional β-eucryptite (LiAlSiO4) is renowned for its unique characteristics of low thermal expansion and high temperature thermal stability, making it an ideal material for precision instruments and aerospace applications. In this study, β-eucryptite was fabricated into an aerogel structure through the [...] Read more.
Traditional β-eucryptite (LiAlSiO4) is renowned for its unique characteristics of low thermal expansion and high temperature thermal stability, making it an ideal material for precision instruments and aerospace applications. In this study, β-eucryptite was fabricated into an aerogel structure through the sol–gel process and supercritical drying method and using alumina sol as a cost-effective precursor. The synthesized β-eucryptite aerogel demonstrated unique properties including a negative thermal expansion coefficient (−7.85 × 10−6 K−1), low density (0.60 g/cm3), and high specific surface area (18.1 m2/g). X-ray diffraction (XRD) and transmission electron microscopy (TEM) mutually corroborated the crystalline structure of β-eucryptite, with XRD confirming the phase purity and TEM imaging revealing well-defined crystal lattice characteristics. Combined nitrogen adsorption–desorption analysis and scanning electron microscopy observations supported the hierarchical porous microstructure, with SEM visualizing interconnected nanoporous networks and nitrogen sorption data verifying the porosity. The negative thermal expansion behavior was directly linked to the β-eucryptite crystal structure, as collectively validated by thermal expansion measurements. Additionally, Fourier transform infrared spectroscopy (FTIR) independently confirmed the aluminosilicate framework structure through characteristic vibrational modes. This research shows the innovation in the synthesis of β-eucryptite aerogel, especially its application potential in precision instruments and building materials that need low thermal expansion and high stability, and the use of aluminum sol as an aluminum source has simplified the preparation steps and reduced production costs. Full article
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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 709
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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15 pages, 3388 KiB  
Article
Fabrication of Air Cavity Structures Using DRIE for Acoustic Signal Confinement in FBAR Devices
by Raju Patel, Manoj Singh Adhikari, Deepak Bansal and Tanmoy Majumder
Micromachines 2025, 16(6), 647; https://doi.org/10.3390/mi16060647 - 29 May 2025
Viewed by 2642
Abstract
Acoustic energy penetrates into the Si substrate at cavity boundaries. Due to this, the air cavity-based bulk acoustic resonators experience higher harmonic mode, parasitic resonance, and spurious mode. To overcome these effects and enhance the performance parameters, a backside air cavity is fabricated [...] Read more.
Acoustic energy penetrates into the Si substrate at cavity boundaries. Due to this, the air cavity-based bulk acoustic resonators experience higher harmonic mode, parasitic resonance, and spurious mode. To overcome these effects and enhance the performance parameters, a backside air cavity is fabricated using the deep reactive ion etching (DRIE) method. The DRIE method helps to achieve the optimized active area of the resonator. SiO2 film on a silicon substrate as the support layer and ZnO as the piezoelectric (PZE) film are used for the resonator. The crystal growth and surface morphology of ZnO film were investigated with X-ray diffraction, scanning electron microscopy, and atomic force microscopy. FBAR is modeled in a 1-D modified Butterworth–Van Dyke (mBVD) equivalent circuit. As RF measurement results, we successfully demonstrated a FBAR with optimized active area of 320 × 320 μm2, center frequency of 1.261 GHz, having a quality factor of 583.8. Overall, this suppression of higher harmonic mode shows the great potential for improving the selectivity of the sensor and also in RF filter design applications. This integration of DRIE-based cavity formation with ZnO-based FBAR architecture not only enables compact design but also effectively suppresses spurious and higher-order modes, which demonstrates a performance-enhancing fabrication strategy not fully explored in the current literature. Full article
(This article belongs to the Section E:Engineering and Technology)
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19 pages, 10561 KiB  
Article
Environmental Effects of Moisture and Elevated Temperatures on the Mode I and Mode II Interlaminar Fracture Toughness of a Toughened Epoxy Carbon Fibre Reinforced Polymer
by Anna Williams, Ian Hamerton and Giuliano Allegri
Polymers 2025, 17(11), 1503; https://doi.org/10.3390/polym17111503 - 28 May 2025
Viewed by 613
Abstract
The use of composite materials within extreme environments is an exciting frontier in which a wealth of cutting-edge developments have taken place recently. Although there is vast knowledge of composites’ behaviour in standard room temperature and humidity, there is a great need to [...] Read more.
The use of composite materials within extreme environments is an exciting frontier in which a wealth of cutting-edge developments have taken place recently. Although there is vast knowledge of composites’ behaviour in standard room temperature and humidity, there is a great need to understand their performance in ‘hot/wet’ conditions, as these are the conditions of their envisaged applications. One of the key failure mechanisms within composites is interlaminar fracture, commonly referred to as delamination. The environmental effects of moisture and elevated temperatures on interlaminar fracture toughness are therefore essential design considerations for laminated aerospace-grade composite materials. IM7/8552, a toughened epoxy/carbon fibre reinforced polymer, was experimentally characterised in both ‘Dry’ and ‘Wet’ conditions at 23 °C and 90 °C. A moisture uptake study was conducted during the ‘Wet’ conditioning of the material in a 70 °C/85% relative humidity environment. Dynamic mechanical thermal analysis was carried out to determine the effect of moisture on the glass transition temperature of the material. Mode I initiation and propagation fracture properties were determined using double cantilevered beam specimens and Mode II initiation fracture properties were deduced using end-notched flexure specimens. The effects of precracking and the methodology of high-temperature testing are discussed in this report. Mode I interlaminar fracture toughness, GIC, was found to increase with elevated temperatures and moisture content, with GIC=0.205kJ/m2 in ‘Dry 23 °C’ conditions increasing by 26% to GIC=0.259kJ/m2 in ‘Wet 90 °C’ conditions, demonstrating that the material exhibited its toughest behaviour in ‘hot/wet’ conditions. Increased ductility due to matrix softening and fibre bridging caused by temperature and moisture were key contributors to the elevated GIC values. Mode II interlaminar fracture toughness, GIIC, was observed to decrease most significantly when moisture or elevated temperature was applied individually, with the combination of ‘hot/wet’ conditions resulting in an 8% drop in GIIC, with GIIC=0.586kJ/m2 in ‘Dry 23 °C’ conditions and GIIC=0.541kJ/m2 in ‘Wet 90 °C’ conditions. The coupled effect of fibre-matrix interface degradation and increased plasticity due to moisture resulted in a relatively small knockdown on GIIC compared to GIC in ‘hot/wet’ conditions. Fractographic studies of the tested specimens were conducted using scanning electron microscopy. Noteworthy surface topography features were observed on specimens of different fracture modes, moisture saturation levels, and test temperature conditions, including scarps, cusps, broken fibres and river markings. The qualitative features identified during microscopy are critically examined to extrapolate the differences in quantitative results in the various environmental conditions. Full article
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17 pages, 8907 KiB  
Article
Biaxial Non-Resonant Electromagnetically Driven Scanning Micromirror with Large Aperture
by Tong Wang, Yu Jian, Chen Liu, Manpeng Chang, Xin Wang and Weimin Wang
Micromachines 2025, 16(6), 610; https://doi.org/10.3390/mi16060610 - 23 May 2025
Viewed by 2315
Abstract
To address the challenges of small aperture size, limited scanning angles, and high fabrication costs in existing scanning micromirrors, this paper proposes a large-aperture biaxial electromagnetically driven scanning micromirror. The scanning micromirror utilizes a stainless-steel mirror structure and an actuation structure composed of [...] Read more.
To address the challenges of small aperture size, limited scanning angles, and high fabrication costs in existing scanning micromirrors, this paper proposes a large-aperture biaxial electromagnetically driven scanning micromirror. The scanning micromirror utilizes a stainless-steel mirror structure and an actuation structure composed of arc-shaped permanent magnets (NdFeB 52), iron cores, and copper coils. By optimizing the magnet layout and coil design, it achieves large optical scanning angles in biaxial non-resonant scanning mode. Experimental results demonstrate that the optical scanning angles reach 61.4° (x-axis) under a DC driving current of ±18.1 mA and 61.1° (y-axis) under a DC driving current of ±25.2 mA with an effective mirror aperture of 9.54 mm × 10 mm. The resonant frequencies are 89 Hz (x-axis) and 63 Hz (y-axis). Experimental results verify the feasibility of biaxial independent control in non-resonant scanning mode. The design is fabricated using a low-cost computer numerical control (CNC) milling process and exhibits application potential in fields such as LiDAR, projection display, and optical communication, providing a novel approach for performance optimization of large-aperture scanning micromirrors. Full article
(This article belongs to the Special Issue Recent Advances in MEMS Mirrors)
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