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21 pages, 1625 KB  
Article
Multi-Objective Feature Selection for Intrusion Detection Systems: A Comparative Analysis of Bio-Inspired Optimization Algorithms
by Anıl Sezgin, Mustafa Ulaş and Aytuğ Boyacı
Sensors 2025, 25(19), 6099; https://doi.org/10.3390/s25196099 - 3 Oct 2025
Abstract
The increasing sophistication of cyberattacks makes Intrusion Detection Systems (IDSs) essential, yet the high dimensionality of modern network traffic hinders accuracy and efficiency. We conduct a comparative study of multi-objective feature selection for IDS using four bio-inspired metaheuristics—Grey Wolf Optimizer (GWO), Genetic Algorithm [...] Read more.
The increasing sophistication of cyberattacks makes Intrusion Detection Systems (IDSs) essential, yet the high dimensionality of modern network traffic hinders accuracy and efficiency. We conduct a comparative study of multi-objective feature selection for IDS using four bio-inspired metaheuristics—Grey Wolf Optimizer (GWO), Genetic Algorithm (GA), Particle Swarm Optimization (PSO), and Ant Colony Optimization (ACO)—on the X-IIoTID dataset. GA achieved the highest accuracy (99.60%) with the lowest FPR (0.39%) using 34 features. GWO offered the best accuracy–subset balance, reaching 99.50% accuracy with 22 features (65.08% reduction) within 0.10 percentage points of GA while using ~35% fewer features. PSO delivered competitive performance with 99.58% accuracy, 32 features (49.21% reduction), FPR 0.40%, and FNR 0.44%. ACO was the fastest (total training time 3001 s) and produced the smallest subset (7 features; 88.89% reduction), at an accuracy of 97.65% (FPR 2.30%, FNR 2.40%). These results delineate clear trade-off regions of high accuracy (GA/PSO/GWO), balanced (GWO), and efficiency-oriented (ACO) and underscore that algorithm choice should align with deployment constraints (e.g., edge vs. enterprise vs. cloud). We selected this quartet because it spans distinct search paradigms (hierarchical hunting, evolutionary recombination, social swarming, pheromone-guided foraging) commonly used in IDS feature selection, aiming for a representative, reproducible comparison rather than exhaustiveness; extending to additional bio-inspired and hybrid methods is left for future work. Full article
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17 pages, 3361 KB  
Article
Synergistic Regulation of Ag Nanoparticles and Reduced Graphene Oxide in Boosting TiO2 Microspheres Photocatalysis for Wastewater Treatment
by Guoshuai Ma, Zhijian An, Yinqi Yang, Wei Wang, Yao Wang, Shuting Tian, Jingwen Gao, Xue-Zhong Gong, Laurence A. Belfoire and Jianguo Tang
Nanomaterials 2025, 15(19), 1510; https://doi.org/10.3390/nano15191510 - 2 Oct 2025
Abstract
Dye-contaminated wastewater has become one of the most severe environmental challenges due to the non-biodegradability and toxicity of synthetic dyes. While photocatalytic degradation is considered a green and efficient technology for wastewater purification, conventional TiO2 suffers from limited light utilization and rapid [...] Read more.
Dye-contaminated wastewater has become one of the most severe environmental challenges due to the non-biodegradability and toxicity of synthetic dyes. While photocatalytic degradation is considered a green and efficient technology for wastewater purification, conventional TiO2 suffers from limited light utilization and rapid electron–hole recombination. In this exploration, Ag-TiO2-RGO nanocomposites were successfully fabricated and systematically investigated by XRD, SEM, TEM, XPS, Raman, and PL spectroscopy. The incorporation of Ag nanoparticles and reduced graphene oxide (RGO) synergistically improved charge separation and transfer efficiency. Photocatalytic activity was evaluated using different dyes as pollutants under visible light irradiation. Among the samples, Ag-TiO2-RGO-3% exhibited the highest RhB degradation efficiency of 99.5% within 75 min, with a rate constant (K) of 0.05420 min−1, which was nearly three times higher than that of pure TiO2. The photocatalyst also showed excellent reusability with only minor efficiency loss after five cycles, and its activity remained stable across a wide pH range. Radical trapping experiments revealed that •O2 served as the dominant reactive species, with additional contributions from •OH and photogenerated holes (h+). A possible photocatalytic mechanism was proposed, in which Ag nanoparticles and RGO effectively suppressed electron–hole recombination and accelerated the formation of reactive oxygen species for efficient dye mineralization. These findings demonstrate that Ag-TiO2-RGO-3% is a promising photocatalyst with high activity, stability, and environmental adaptability for wastewater remediation. Full article
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16 pages, 3427 KB  
Article
From Bioinformatics Analysis to Recombinant Expression: Advancing Public Health with Taenia solium Proteins
by Juana Muñoz, María Camila Jurado Guacaneme, Clemencia Ovalle-Bracho, Julián Trujillo Trujillo, Sofía Duque-Beltrán, Adriana Arévalo and Carlos Franco-Muñoz
Int. J. Mol. Sci. 2025, 26(19), 9585; https://doi.org/10.3390/ijms26199585 - 1 Oct 2025
Abstract
Taeniasis and neurocysticercosis (NCC), caused by Taenia solium, are significant public health concerns recognised by the World Health Organization (WHO) in developing countries across the Americas, Asia, and Africa. Taeniasis occurs in humans after consuming undercooked pork containing the larval stage ( [...] Read more.
Taeniasis and neurocysticercosis (NCC), caused by Taenia solium, are significant public health concerns recognised by the World Health Organization (WHO) in developing countries across the Americas, Asia, and Africa. Taeniasis occurs in humans after consuming undercooked pork containing the larval stage (Cysticerci), which matures into the adult reproductive form in the intestine, releasing eggs through faeces. Accidental ingestion of these eggs by humans is the primary cause of NCC, a principal contributor to acquired epilepsy in endemic regions. Interrupting this transmission cycle is crucial to reducing the incidence of human NCC and porcine cysticercosis, thereby underscoring the need for accurate diagnosis and timely treatment of taeniasis. Current diagnostic tests for taeniasis, including microscopy, serology, copro-DNA, and coproantigen assays, exhibit variability in sensitivity, reproducibility, cross-reactivity, and accessibility. To overcome these limitations, bioinformatics tools were integrated with recombinant DNA technology to identify protein sequences with immunological potential. These sequences were evaluated in silico and used to construct an expression system. Subsequently, the antigens were expressed in a eukaryotic system, yielding two purified recombinant protein variants of 21 and 30 kDa. Their purification validated via Western blotting of the molecular tag, paves the way for the development of a direct immunological assay for the specific detection of Taenia solium carriers. Full article
(This article belongs to the Collection 30th Anniversary of IJMS: Updates and Advances in Biochemistry)
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21 pages, 5821 KB  
Article
Systematic Study of Gold Nanoparticle Effects on the Performance and Stability of Perovskite Solar Cells
by Sofia Rubtsov, Akshay Puravankara, Edi L. Laufer, Alexander Sobolev, Alexey Kosenko, Vasily Shishkov, Mykola Shatalov, Victor Danchuk, Michael Zinigrad, Albina Musin and Lena Yadgarov
Nanomaterials 2025, 15(19), 1501; https://doi.org/10.3390/nano15191501 - 1 Oct 2025
Abstract
We explore a plasmonic interface for perovskite solar cells (PSCs) by integrating inkjet-printed TiO2-AuNP microdot arrays (MDA) into the electron transport layer. This systematic study examines how the TiO2 blocking layer (BL) surface conditioning, AuNP layer positioning, and nanoparticle loading [...] Read more.
We explore a plasmonic interface for perovskite solar cells (PSCs) by integrating inkjet-printed TiO2-AuNP microdot arrays (MDA) into the electron transport layer. This systematic study examines how the TiO2 blocking layer (BL) surface conditioning, AuNP layer positioning, and nanoparticle loading collectively influence device performance. Pre-annealing the BL increases its hydrophobicity, yielding smaller and denser AuNP microdots with an enhanced localized surface plasmon resonance (LSPR). Positioning the AuNP MDA at the BL/perovskite interface (above the BL) maximizes near-field plasmonic coupling to the absorber, resulting in higher photocurrent and power conversion devices; these trends are corroborated by finite-difference time-domain (FDTD) simulations. Moreover, these devices demonstrate better stability over time compared to those with AuNPs at the transparent electrode (under BL). Although higher AuNP concentrations improve dispersion stability, preserve MAPI crystallinity, and yield more uniform nanoparticle sizes, device measurements showed no performance gains. After annealing, the samples with the Au content of 23 wt% relative to TiO2 achieved optimal PSC efficiency by balancing plasmonic enhancement and charge transport without the increased resistance and recombination losses seen at higher loadings. Importantly, X-ray diffraction (XRD) confirms that introducing the TiO2-AuNP MDA at the interface does not disrupt the perovskite’s crystal structure, underscoring the structural compatibility of this plasmonic enhancement. Overall, our findings highlight a scalable strategy to boost PSC efficiency via engineered light-matter interactions at the nanoscale without compromising the perovskite’s structural integrity. Full article
(This article belongs to the Special Issue Photochemical Frontiers of Noble Metal Nanomaterials)
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32 pages, 2368 KB  
Article
Quercetin Increases Expression of Membrane-TRAIL in Glioblastoma Cells Resulting in Apoptosis
by Erin M. Thorpe, Gaëlle Muller-Greven, Jamila Hirbawi, Candece L. Gladson and Michael Kalafatis
Cancers 2025, 17(19), 3197; https://doi.org/10.3390/cancers17193197 - 30 Sep 2025
Abstract
Background/Objectives: Glioblastoma isocitrate dehydrogenase (IDH)-wild type (GBM) belongs to a deadly class of cancers with a limited number of effective therapies and a dismal prognosis. Quercetin is a natural flavonoid with proven anti-cancer effects. This study aimed to assess the effect of quercetin [...] Read more.
Background/Objectives: Glioblastoma isocitrate dehydrogenase (IDH)-wild type (GBM) belongs to a deadly class of cancers with a limited number of effective therapies and a dismal prognosis. Quercetin is a natural flavonoid with proven anti-cancer effects. This study aimed to assess the effect of quercetin on recombinant human tumor necrosis factor-related apoptosis-inducing ligand (rhTRAIL)-mediated apoptosis in various GBM cells and control astrocytes. Methods: Two astrocyte cell lines and three GBM cell lines, M059K, T98G, and A172, were treated with quercetin (±rhTRAIL), and the results were evaluated by Western blotting, confocal microscopy, and flow cytometry analyses. Results: Quercetin alone did not induce apoptosis in normal astrocytes. Surprisingly, quercetin alone induced apoptosis in all GBM cell lines through both the intrinsic and extrinsic pathways of apoptosis in a TRAIL-dependent manner. M059K were the most sensitive to quercetin-induced apoptosis, followed by T98G and A172. We determined that GBM cells possess endogenous membrane-TRAIL, and that quercetin, in a time- and concentration-dependent manner, increased the trafficking of membrane-TRAIL to the cell surface. Conclusions: We demonstrate that quercetin alone induces apoptosis in GBM cell lines by facilitating endogenous membrane-TRAIL trafficking to the cell surface, where it can interact with death receptors already present on the surface of neighboring cancer cells, resulting in cell death. This unexpected finding may prove to be invaluable for potential future treatment of patients with GBM, since administration of quercetin can cause increased trafficking of membrane-TRAIL to the cell surface, inducing cancer cell apoptosis without affecting neighboring normal cells. Full article
(This article belongs to the Collection Innovations in Cancer Drug Development Research)
28 pages, 1463 KB  
Article
Strategic Management Knowledge Map via BERTopic (1980–2025): Evolution, Integration, and Application
by Kuei-Kuei Lai, Chih-Wen Hsiao and Yu-Jin Hsu
Appl. Syst. Innov. 2025, 8(5), 142; https://doi.org/10.3390/asi8050142 - 29 Sep 2025
Abstract
Problem: Amid digital disruption and the cross-fertilization of RBV, DCV, and KBV, strategic management knowledge has grown fragmented with blurred boundaries. Conventional mapping (citation/co-word, LDA) lacks semantic and temporal resolution, obscuring overlaps, divergences, and turning points and hindering links to actionable indicators (e.g., [...] Read more.
Problem: Amid digital disruption and the cross-fertilization of RBV, DCV, and KBV, strategic management knowledge has grown fragmented with blurred boundaries. Conventional mapping (citation/co-word, LDA) lacks semantic and temporal resolution, obscuring overlaps, divergences, and turning points and hindering links to actionable indicators (e.g., the Balanced Scorecard). Hence, an integrated, semantically faithful, time-stamped map is needed to bridge research and operational metrics. Gap: Prior maps rely on citation/co-word signals, miss textual meaning, and treat RBV/DCV/KBV in isolation—lacking a theory-aligned, time-stamped, manager-oriented synthesis. Objectives: This study aims to (1) reveal how RBV, DCV, and KBV evolve and interrelate over time; (2) produce an integrated, semantically grounded map; and (3) translate selected themes into actionable managerial indicators. Method: We analyzed 25,907 WoS articles (1980–2025) with BERTopic (Sentence-BERT + UMAP + HDBSCAN + c-TF-IDF). We used an RBV/DCV/KBV lexicon to guide retrieval/interpretation (not to constrain modeling). We discovered 230 topics, retained 33 via coherence (C_V), and benchmarked them against LDA. Key findings: A concise set of 33 high-quality themes with a higher C_V than LDA on this corpus was established. A Fish-Scale view (overlapping subfields across economics, management, sociology) that clarifies RBV–DCV–KBV intersections was achieved. Era-sliced prevalence shows how themes emerge and recombine over 1980–2025. Selected themes mapped to Balanced Scorecard (BSC) indicators linking capabilities → processes → customer outcomes → financial results. Contribution: A clear, time-aware synthesis of RBV–DCV–KBV and a scalable, reproducible pipeline for structuring fragmented theory landscapes are presented in this study—bridging scholarly integration with managerial application via BSC mapping. Full article
(This article belongs to the Topic Social Sciences and Intelligence Management, 2nd Volume)
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31 pages, 10779 KB  
Review
MXene-Polymer Nanocomposites for High-Efficiency Photocatalytic Antibiotic Degradation Review: Microstructure Control, Environmental Adaptability and Future Prospects
by Zhenfei Chen, Zhifei Meng, Zhongguo Zhang and Weifang Ma
Polymers 2025, 17(19), 2630; https://doi.org/10.3390/polym17192630 - 28 Sep 2025
Abstract
The efficient degradation of antibiotics in pharmaceutical wastewater remains a critical challenge against environmental contaminants. Conventional photocatalysts face potential limitations such as narrow visible-light absorption, rapid carrier recombination, and reliance on precious metal cocatalysts. This review investigates the coordination structure of MXene as [...] Read more.
The efficient degradation of antibiotics in pharmaceutical wastewater remains a critical challenge against environmental contaminants. Conventional photocatalysts face potential limitations such as narrow visible-light absorption, rapid carrier recombination, and reliance on precious metal cocatalysts. This review investigates the coordination structure of MXene as a cocatalyst to synergistically enhance photocatalytic antibiotic degradation efficiency and the coordination structure modification mechanisms. MXene’s tunable bandgap (0.92–1.75 eV), exceptional conductivity (100–20,000 S/cm), and abundant surface terminations (-O, -OH, -F) enable the construction of Schottky or Z-scheme heterojunctions with semiconductors (Cu2O, TiO2, g-C3N4), achieving 50–70% efficiency improvement compared to pristine semiconductors. The “electron sponge” effect of MXene suppresses electron-hole recombination by 3–5 times, while its surface functional groups dynamically optimize pollutant adsorption. Notably, MXene’s localized surface plasmon resonance extends light harvesting from visible (400–800 nm) to near-infrared regions (800–2000 nm), tripling photon utilization efficiency. Theoretical simulations demonstrate that d-orbital electronic configurations and terminal groups cooperatively regulate catalytic active sites at atomic scales. The MXene composites demonstrate remarkable environmental stability, maintaining over 90% degradation efficiency of antibiotic under high salinity (2 M NaCl) and broad pH range (4–10). Future research should prioritize green synthesis protocols and mechanistic investigations of interfacial dynamics in multicomponent wastewater systems to facilitate engineering applications. This work provides fundamental insights into designing MXene-based photocatalysts for sustainable water purification. Full article
(This article belongs to the Special Issue Photoelectrocatalytic Polymer Materials)
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17 pages, 2215 KB  
Article
Exploring an Aptamer-Based Approach to Assess Canine Parvovirus Integrity After Disinfection Treatment
by Md Anik Ashfaq Khan, Ahmed Abd El Wahed, Stefan Breuers, Knut Krohn, Günter Mayer, Torsten Schöneberg and Uwe Truyen
Viruses 2025, 17(10), 1309; https://doi.org/10.3390/v17101309 - 27 Sep 2025
Abstract
Virus inactivation exhibits varying disinfection kinetics due to structural or genomic differences. Standard post-disinfection assessment relies on observing cytopathic effects in inoculated cell cultures, which are limited by sensitivity, availability, cost, and turnaround time. This study explores nucleic acid aptamers as molecular sensors [...] Read more.
Virus inactivation exhibits varying disinfection kinetics due to structural or genomic differences. Standard post-disinfection assessment relies on observing cytopathic effects in inoculated cell cultures, which are limited by sensitivity, availability, cost, and turnaround time. This study explores nucleic acid aptamers as molecular sensors to differentiate between intact and post-disinfection virus particles. To discover aptamers, 12 cycles of an automated SELEX (Systematic Evolution of Ligands by Exponential Enrichment) experiment were performed using recombinant (r)-VP2 protein of canine parvovirus (CPV). Enrichment of single stranded (ss) DNA binders was evaluated by sequencing the enriched libraries. The most abundant sequences were tested for binding with coated rVP2 and CPV (intact and treated with heat and peracetic acid (PAA) disinfectant) followed by detection using PCR. Binding specificity was assessed using intact and heat-treated feline panleukopenia virus (FPV) and porcine parvovirus (PPV). Sequencing of the DNA libraries from selection cycle 6 and cycle 12 products showed individual sequence enrichment with maximum frequencies of 2.14% and 8.65%, respectively. The top three abundant sequences from each cycle confirmed rVP2 binding. In the case of CPV, only heat-treated and PAA-treated CPV showed binding to the candidate sequences. However, reduced binding to the CPV-specific antibody was observed for rVP2 and treated CPV compared to intact CPV. No apparent binding of the tested sequences was observed for FPV and PPV. Aptamers binding to denatured but not intact CPV demonstrate the potential to distinguish between the two states, providing a basis for developing a molecular assay to assess disinfection efficacy. Full article
(This article belongs to the Section Animal Viruses)
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17 pages, 736 KB  
Article
Simultaneous Occurrence of Field Epidemics of Rabbit Hemorrhagic Disease (RHD) in Poland Due to the Co-Presence of Lagovirus europaeus GI.1 (RHDV)/GI.1a (RHDVa) and GI.2 (RHDV2) Genotypes
by Andrzej Fitzner, Wiesław Niedbalski and Beata Hukowska-Szematowicz
Viruses 2025, 17(10), 1305; https://doi.org/10.3390/v17101305 - 26 Sep 2025
Abstract
The highly fatal rabbit hemorrhagic disease (RHD) that first emerged in 1984 in China has spread worldwide and affects both domestic and wild rabbits. The disease was originally caused by RHD virus (Lagovirus europaeus, L.europaeus) of GI.1 genotype, but over the [...] Read more.
The highly fatal rabbit hemorrhagic disease (RHD) that first emerged in 1984 in China has spread worldwide and affects both domestic and wild rabbits. The disease was originally caused by RHD virus (Lagovirus europaeus, L.europaeus) of GI.1 genotype, but over the years, two further pathogenic forms, known as the antigenic and genetic variant RHDVa (GI.1a) and RHDV2 (genotype GI.2), have been identified. RHD was first reported in Poland in 1988, when two RHDV strains were isolated, currently classified as GI.1c, while RHDVa and RHDV2 emerged in 2003 and 2016, respectively. In this study, using virological and molecular methods, we characterized five new RHDV strains belonging to GI.1 (RHDV)/GI.1a (RHDVa) and GI.2 (RHDV2) genotypes isolated in Poland in 2020–2022, in domestic rabbits from backyard farm and companion animals. We showed that two strains of L. europaeus (NRU 2020 and LIB 2020) from 2020 in the phylogenies of nonstructural proteins (NSP) and structural capsid protein (SP-VP60) clustered in a homogeneous GI.1a variant group. We stated that three strains of L. europaeus from 2020 to 2022 (KOB 2020, ZWO 2021, WAE 2022) in the VP60 phylogeny were positioned in the GI.2 (RHDV2) genotype, while in the NSP phylogeny, they are genetically related to recombinants with the GI.3/GI.2 genotype. Unexpectedly, in two RHD cases identified in the same small geographical area of south-eastern Poland (Libusza and Kobylanka), the close coexistence of RHDVa (LIB2020) and RHDV2 (KOB2020) strains capable of causing independent infections at the same time was found. This leads to the conclusion that the close natural coexistence of RHDV strains belonging to different genotypes does not necessarily have to directly lead to the emergence of new genetic or antigenic variants, which confirms the distinctness of both genetic forms and indicates different evolutionary paths leading to the best possible adaptation to the host. Full article
(This article belongs to the Section Animal Viruses)
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19 pages, 3271 KB  
Article
Mycobacterium Transcriptional Factor BlaI Regulates Cell Division and Growth and Potentiates β-Lactam Antibiotic Efficacy Against Mycobacteria
by Junqi Xu, Mingjun Zhang, Fuling Xie, Junfeng Zhen, Yuerigu Abuliken, Chaoyun Gao, Yongdong Dai, Zhiyong Jiang, Peibo Li and Jianping Xie
Microorganisms 2025, 13(10), 2245; https://doi.org/10.3390/microorganisms13102245 - 25 Sep 2025
Abstract
Cell division is critical for the survival, growth, pathogenesis, and antibiotic susceptibility of Mycobacterium tuberculosis (Mtb). However, the regulatory networks governing the transcription of genes involved in cell growth and division in Mtb remain poorly understood. This study aimed to investigate the impact [...] Read more.
Cell division is critical for the survival, growth, pathogenesis, and antibiotic susceptibility of Mycobacterium tuberculosis (Mtb). However, the regulatory networks governing the transcription of genes involved in cell growth and division in Mtb remain poorly understood. This study aimed to investigate the impact of BlaI overexpression on cell division and growth in Mtb and elucidate the underlying mechanisms. Mycobacterium smegmatis mc2155 was used as the model organism. Recombinant strains overexpressing BlaI were constructed. Scanning electron microscopy (SEM), transmission electron microscopy (TEM), ethidium bromide and Nile red uptake assays, minimum inhibitory concentration (MIC) determination, drug resistance analysis, quantitative real-time PCR (qRT-PCR) assays, and electrophoretic mobility shift assay (EMSA) were employed to assess changes in bacterial morphology, cell wall permeability, antibiotic susceptibility, gene transcription levels, and the interaction between BlaI and its target genes. Overexpression of BlaI disrupted bacterial division in M. smegmatis, leading to growth delay, cell elongation, and formation of multi-septa. It also altered the lipid permeability of the cell wall and enhanced the sensitivity of M. smegmatis to β-lactam antibiotics. BlaI overexpression affected the transcription of cell division-related genes, particularly downregulating ftsQ. Additionally, BlaI negatively regulated the transcription of Rv1303—a gene co-transcribed with ATP synthase-encoding genes—inhibiting ATP synthesis. This impaired the phosphorylation of division complex proteins, ultimately affecting cell division and cell wall synthesis. Overexpression of BlaI in Mtb interferes with bacterial division, slows growth, and alters gene expression. Our findings identify a novel role for BlaI in regulating mycobacterial cell division and β-lactam susceptibility, providing a foundation for future mechanistic studies in M. tuberculosis, with validation required to assess relevance to clinical tuberculosis—though validation in M. tuberculosis and preclinical models is required. Full article
(This article belongs to the Special Issue Mycobacterial Research)
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14 pages, 3288 KB  
Article
Electric Field Modulation and Ultrafast Photogenerated Electron-Hole Dynamics in MoSe2/WSe2 van der Waals Heterostructures
by Tian-Jun Dai, Zhong-Yuan Fan, Chao-Feng Peng, Xiang Xiao, Yi Zhou, Jian Sun, Zhang-Yu Zhou, Xiang Guo, Xue-Fei Liu and Xiang-Hong Niu
Molecules 2025, 30(18), 3840; https://doi.org/10.3390/molecules30183840 - 22 Sep 2025
Viewed by 183
Abstract
Understanding the non-equilibrium dynamical processes in two-dimensional (2D) transition metal dichalcogenide (TMDC) heterostructures is essential for elucidating their photoelectric behaviors. In this work, we investigate the electronic structure, electric field modulation, and transient optical performance of the MoSe2/WSe2 heterostructure using [...] Read more.
Understanding the non-equilibrium dynamical processes in two-dimensional (2D) transition metal dichalcogenide (TMDC) heterostructures is essential for elucidating their photoelectric behaviors. In this work, we investigate the electronic structure, electric field modulation, and transient optical performance of the MoSe2/WSe2 heterostructure using first principles and nonadiabatic molecular dynamics (NAMD) methods. Applying an external electric field effectively modulates the bandgap and band arrangement of MoSe2/WSe2 heterostructure, along with a transition from indirect to direct bandgap during which the type-II band alignment can be maintained. Specifically, the ultrafast interlayer photogenerated electron transfer time is 72 fs, and the interlayer electron-hole recombination time can be as long as 357 ns, which is longer than that of the intralayer recombination in the constituent monolayers (110 ns for MoSe2 and 288 ns for WSe2), yielding an ultrahigh charge separation efficiency of up to 99.99%. The significant time difference in the processes of photoinduced charge transfer and recombination can be attributed to the corresponding different nonadiabatic coupling averaged values, mainly determined by the electron–phonon coupling and energy difference. The carrier dynamics mechanism revealed in the MoSe2/WSe2 heterostructure is conducive to the development of 2D ultrafast optoelectronic devices. Full article
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18 pages, 3108 KB  
Article
Ozonized Sunflower Oil: Standardization and Mechanisms of the Antimicrobial Effect
by Matheus Henrique Vieira, Diogo Boreski, Bibiana Franzen Matte, Jean Lucas de Oliveira Arias, Celso Martins Júnior, Tais Maria Bauab, Sthefano Atique Gabriel and Chung Man Chin
Int. J. Mol. Sci. 2025, 26(18), 9156; https://doi.org/10.3390/ijms26189156 - 19 Sep 2025
Viewed by 236
Abstract
Ozonized vegetable oils are gaining attention for their antimicrobial and therapeutic potential, yet the lack of standardized ozonation protocols and incomplete characterization of their chemical profiles hinder clinical translation. In this study, we standardized the ozonation process of sunflower oil and investigated the [...] Read more.
Ozonized vegetable oils are gaining attention for their antimicrobial and therapeutic potential, yet the lack of standardized ozonation protocols and incomplete characterization of their chemical profiles hinder clinical translation. In this study, we standardized the ozonation process of sunflower oil and investigated the chemical evolution and antimicrobial efficacy of the resulting products. Ozonation proceeded through a classical three-step mechanism involving the formation of primary ozonides, their decomposition into carbonyl compounds and carbonyl oxides, and subsequent recombination into stable secondary ozonides capable of sustained ozone release with reduced toxicity. Time-course analysis at 100, 240, and 480 min revealed key reaction products, including the appearance of azelaic acid after 240 min, progressive depletion of linoleic acid, and the emergence of 2,5-furandione exclusively after 480 min—indicative of advanced oxidative processes. The formation of hydroperoxides and their secondary degradation into ketones, acids, and epoxides was also observed, with implications for both biological activity and sensory properties. Importantly, the ozonized oil demonstrated potent antimicrobial activity against Staphylococcus aureus, Escherichia coli, Salmonella choleraesuis, Pseudomonas aeruginosa, Candida albicans, and Aspergillus brasiliensis. These findings provide a comprehensive chemical and functional characterization of ozonized sunflower oil and support its development as a standardized antimicrobial agent for therapeutic use. Full article
(This article belongs to the Special Issue Molecular Mechanisms of Ozone Therapy)
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22 pages, 8198 KB  
Article
Thermally Exfoliated g-C3N4/Ti3C2Tx MXene Schottky Junctions as Photocatalysts for the Removal of Valsartan from Aquatic Environments
by Christos Lykos and Ioannis Konstantinou
Catalysts 2025, 15(9), 909; https://doi.org/10.3390/catal15090909 - 18 Sep 2025
Viewed by 237
Abstract
In recent years, graphitic carbon nitride (g-C3N4) has gained considerable ground in the field of heterogeneous photocatalysis for the abatement of emerging contaminants from aqueous environments. Nonetheless, certain limitations, including a small surface area and a high recombination rate, [...] Read more.
In recent years, graphitic carbon nitride (g-C3N4) has gained considerable ground in the field of heterogeneous photocatalysis for the abatement of emerging contaminants from aqueous environments. Nonetheless, certain limitations, including a small surface area and a high recombination rate, limit its photocatalytic efficacy. In this study, g-C3N4 was synthesized from urea and then underwent thermal exfoliation. A portion of the exfoliated material was subsequently subjected to protonation via acid treatment, and both protonated and non-protonated variants of exfoliated g-C3N4 were combined with small amounts of Ti3C2Tx MXene. The morphology, chemical structure, and optical properties of the synthesized materials were examined using various characterization techniques. Additionally, their photocatalytic performance was evaluated through laboratory tests using the commonly detected anti-hypertensive drug valsartan as a model pollutant. The degradation kinetics of valsartan revealed that combining 1% Ti3C2Tx MXene with exfoliated g-C3N4 (both protonated and non-protonated) achieves optimal removal. Notably, the composite material 1%-pCNMX (protonated variant) displayed a 20% higher removal kinetic rate than unmodified exfoliated g-C3N4, removing a higher quantity of valsartan within the same time frame. Furthermore, all protonated composites proved more effective in degrading valsartan than their non-protonated counterparts, demonstrating the positive impact of acid treatment. The improved photocatalytic activity was attributed to the successful formation of Schottky junctions between g-C3N4 and Ti3C2Tx, which reduced the recombination rate of photogenerated charge carriers. Full article
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27 pages, 1769 KB  
Review
Beyond Purification: Evolving Roles of Fusion Tags in Biotechnology
by Tsutomu Arakawa and Teruo Akuta
Curr. Issues Mol. Biol. 2025, 47(9), 768; https://doi.org/10.3390/cimb47090768 - 17 Sep 2025
Viewed by 354
Abstract
Genetic fusion of a tag sequence to a target protein, or protein of interest (POI), is one of the most widely used technologies for recombinant expression. Tag-fusion proteins can enhance soluble expression, prolong half-life, increase binding avidity, and facilitate protein purification or refolding. [...] Read more.
Genetic fusion of a tag sequence to a target protein, or protein of interest (POI), is one of the most widely used technologies for recombinant expression. Tag-fusion proteins can enhance soluble expression, prolong half-life, increase binding avidity, and facilitate protein purification or refolding. In addition, tag-fusion proteins can be used to identify POI-binding partners through pull-down or immunoprecipitation assays. Beyond these classical applications, tags have evolved to serve as multifunctional tools, enabling real-time imaging, spatial localization, targeted delivery, and regulation of protein activity in living systems. Some engineered tags also allow conditional control, such as pH or ligand-dependent stabilization, thus expanding their utility in synthetic biology and therapeutic design. Here, we summarize protein-based and peptide-based tags, as well as methods for tag removal. While not fully comprehensive, this review aims to help researchers design suitable tag formats for specific goals. Full article
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Article
TGFBI Facilitates Myogenesis and Limits Fibrosis in Mouse Skeletal Muscle Regeneration
by Na Rae Park, So-Yeon Jin, Soon-Young Kim, Seung-Hoon Lee, In-San Kim and Jung-Eun Kim
Int. J. Mol. Sci. 2025, 26(18), 9042; https://doi.org/10.3390/ijms26189042 - 17 Sep 2025
Viewed by 293
Abstract
Skeletal muscles are essential for movement and support but are vulnerable to injury. Muscle regeneration relies on the extracellular matrix (ECM), which regulates key cellular processes. Transforming growth factor β-induced (TGFBI), an ECM component involved in cell adhesion, migration, and tissue development, has [...] Read more.
Skeletal muscles are essential for movement and support but are vulnerable to injury. Muscle regeneration relies on the extracellular matrix (ECM), which regulates key cellular processes. Transforming growth factor β-induced (TGFBI), an ECM component involved in cell adhesion, migration, and tissue development, has not been investigated in skeletal muscle regeneration. Here, we examined the role of TGFBI using Tgfbi knockout (KO) mice and C2C12 myoblasts. In vitro, C2C12 cells were treated with recombinant TGFBI following snake venom (SV)-induced injury, and myogenic differentiation and fusion were evaluated by quantitative real-time PCR (qRT-PCR) and Western blotting. In vivo, acute muscle injury was induced by SV injection into the tibialis anterior muscles of 12-week-old wild-type and Tgfbi KO mice, with regeneration assessed by histology and qRT-PCR. TGFBI was absent in uninjured muscle and C2C12 cells but was upregulated after injury. Recombinant TGFBI enhanced myogenic differentiation and restored SV-induced downregulation of myogenic and fusion markers. Although phenotypically normal under physiological conditions, Tgfbi KO mice exhibited impaired regeneration, characterized by persistent immature myofibers, elevated inflammatory cytokines, reduced myogenic marker expression, and increased fibrosis. These findings reveal TGFBI as a key regulator of skeletal muscle repair and a potential therapeutic target for muscle-related disorders. Full article
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