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18 pages, 7127 KB  
Article
Mechanical Performance of 3D-Printed Resin Materials for Endocrown Restorations: A Comparative Evaluation of Fracture Resistance, Weibull Analysis, and Experimental Fracture Toughness
by Osama Abuabboud, Adrian-George Marinescu, Mihai Paven, Izabella-Maria Kovacs, Luminița-Maria Nica, Andrei-Bogdan Faur, Liviu Marșavina, Dan Ioan Stoia and Anca Jivănescu
J. Funct. Biomater. 2026, 17(9), 430; https://doi.org/10.3390/jfb17090430 (registering DOI) - 26 Aug 2026
Abstract
Background and Objectives: Three-dimensional printing is increasingly used to fabricate dental restorations; however, limited evidence is available on the mechanical performance and fracture behavior of printable resin materials used for endocrown restorations. Fracture load alone may not fully describe material performance, particularly [...] Read more.
Background and Objectives: Three-dimensional printing is increasingly used to fabricate dental restorations; however, limited evidence is available on the mechanical performance and fracture behavior of printable resin materials used for endocrown restorations. Fracture load alone may not fully describe material performance, particularly when brittle or defect-sensitive failure occurs. This in vitro study aimed to compare the fracture resistance, Weibull parameters, experimental Mode I fracture toughness parameter, and failure patterns of three 3D-printed resin materials used for endocrown restorations. Materials and Methods: Thirty anatomically identical molar replicas were produced from a single prepared tooth model and restored with endocrowns fabricated from NextDent C&B MFH (NextDent B.V., Soesterberg, The Netherlands), SprintRay Crown (SprintRay Inc., Los Angeles, CA, USA), and BEGO VarseoSmile Crown Plus (BEGO GmbH & Co. KG, Bremen, Germany) (n = 10/group). The restorations were cemented and subjected to compressive loading until fracture. Maximum fracture force values were analyzed using Welch’s ANOVA and Weibull statistics. In parallel, single-edge-notched bend (SENB) specimens were fabricated from the same materials and tested using an ASTM D5045-based configuration to calculate an experimental Mode I fracture toughness parameter. Representative fractured crowns and standardized specimens were examined using stereomicroscopy to assess visible failure morphology. Results: No statistically significant difference in maximum fracture force was found among the three materials (Welch’s ANOVA, p = 0.217). The mean fracture force values were 862.37 N for NextDent C&B MFH, 804.37 N for SprintRay Crown, and 699.43 N for BEGO VarseoSmile Crown Plus. In the complementary analyses, BEGO VarseoSmile Crown Plus showed the highest Weibull modulus (m = 9.36), indicating a narrower distribution of fracture values, and the highest mean experimental Mode I fracture toughness parameter (5.250 MPa·m0.5) under the present experimental conditions. Qualitative stereomicroscopic analysis revealed material-dependent visible failure patterns: SprintRay Crown exhibited more extensive fragmentation, whereas BEGO VarseoSmile Crown Plus showed a more defined visible fracture pattern with less secondary fragmentation. Conclusions: Fracture load alone was insufficient to characterize the mechanical behavior of the tested materials fully. Weibull parameters, the experimental fracture toughness parameter, and failure morphology provided complementary information and should be considered when evaluating 3D-printed resin materials for endocrown restorations. Full article
(This article belongs to the Special Issue Digital Technologies and Materials in Restorative Dentistry)
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33 pages, 2736 KB  
Article
Aggregation-Modulated Excited-State Intramolecular Proton Transfer and Antifungal Potential of Selected 1,3,4-Thiadiazole Derivatives
by Iwona Budziak-Wieczorek, Klaudia Rząd, Mateusz Koselski, Andrzej Górecki, Magdalena Kachel-Górecka, Alicja Matwijczuk, Bożena Gładyszewska, Patrik Burg, Sylwia Okoń and Arkadiusz Matwijczuk
Int. J. Mol. Sci. 2026, 27(17), 7631; https://doi.org/10.3390/ijms27177631 (registering DOI) - 26 Aug 2026
Abstract
The spectroscopic and biological properties of two 1,3,4-thiadiazole derivatives, 4-chloro-6-{5-[(3-chlorophenyl)amino]-1,3,4-thiadiazol-2-yl}benzene-1,3-diol (PhTD-CIB) and 4-ethyl-6-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol (FTD-EtB), were investigated using electronic absorption, steady-state fluorescence, resonance light scattering (RLS), and time-correlated single-photon counting (TCSPC) measurements. The experimental analysis was complemented by fluorescence quantum-yield determination, calculation of radiative [...] Read more.
The spectroscopic and biological properties of two 1,3,4-thiadiazole derivatives, 4-chloro-6-{5-[(3-chlorophenyl)amino]-1,3,4-thiadiazol-2-yl}benzene-1,3-diol (PhTD-CIB) and 4-ethyl-6-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol (FTD-EtB), were investigated using electronic absorption, steady-state fluorescence, resonance light scattering (RLS), and time-correlated single-photon counting (TCSPC) measurements. The experimental analysis was complemented by fluorescence quantum-yield determination, calculation of radiative and non-radiative rate constants, solvatochromic estimation of dipole-moment changes, and evaluation of intermolecular distances using Kasha’s exciton-splitting model. The spectroscopic results support the occurrence of excited-state intramolecular proton transfer (ESIPT) in both derivatives and indicate that this process is facilitated by molecular aggregation. Spectroscopic studies performed in solvents of different polarity, aqueous media, solvent mixtures, and micellar systems were complemented by an assessment of the antifungal activity of both compounds against selected cereal pathogens. Pronounced changes in fluorescence behavior were observed in micellar systems formed by Triton X-100 and sodium deoxycholate. Depending on the medium, the compounds exhibited either a single short-wavelength emission band or dual emission comprising a second, strongly red-shifted band. Dual emission was particularly evident in selected aqueous, low-polarity, and micellar environments. The combined fluorescence and RLS results indicate that molecular aggregation modifies the balance between the enol- and keto-related emission pathways and promotes an AIE-like enhancement of the ESIPT-associated long-wavelength emission. These findings identify PhTD-CIB and FTD-EtB as environmentally responsive ESIPT fluorophores, while the pronounced antifungal activity observed exclusively for FTD-EtB supports its further investigation as a potential antifungal agent. Full article
(This article belongs to the Special Issue AIEgens in Action: Design, Mechanisms, and Emerging Applications)
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25 pages, 1029 KB  
Review
N-Acetylcysteine as a Bacterial Antibiofilm Adjuvant: Mechanisms, Synergistic Combinations and Clinical Translation
by Anastasia N. Golub, Natalia N. Mikhailova, Maria V. Pomytkina, Ksenia V. Eremeeva, Elena A. Shevchik, Galina N. Nikiforova, Valeriy M. Svistushkin, Vera V. Korennaya, Yuriy L. Vasil’ev and Elena O. Bakhrushina
Life 2026, 16(9), 1414; https://doi.org/10.3390/life16091414 (registering DOI) - 26 Aug 2026
Abstract
N-acetylcysteine (NAC) is a synthetic derivative of L-cysteine, known since the mid-20th century as a mucolytic agent and, in recent decades, has attracted attention for its antioxidant and antibiofilm properties. Bacterial biofilms are structured communities of microorganisms enclosed in an extracellular polymeric [...] Read more.
N-acetylcysteine (NAC) is a synthetic derivative of L-cysteine, known since the mid-20th century as a mucolytic agent and, in recent decades, has attracted attention for its antioxidant and antibiofilm properties. Bacterial biofilms are structured communities of microorganisms enclosed in an extracellular polymeric matrix, which accounts for their markedly increased resistance to antibiotics (up to 1000-fold higher than in planktonic forms) and to the host immune response. According to the literature, up to 65% of infectious agents are associated with biofilm formation, making them a challenging therapeutic target. This review systematizes current data on the molecular mechanisms of the antibiofilm action of NAC, including disruption of matrix proteins and polysaccharides, degradation of extracellular DNA, suppression of the quorum sensing system, and disturbance of bacterial redox homeostasis. Particular attention is given to synergistic combinations of NAC with antibiotics of five major classes; effective concentrations are provided, and the types of interaction are characterized. The results of clinical studies from the last decade are reviewed, demonstrating the potential of NAC as an adjuvant in urinary tract infections, chronic rhinosinusitis, diabetic osteomyelitis, and cystic fibrosis. The main limitations (pH dependence, instability, low oral bioavailability) are critically evaluated, and approaches to overcoming them using nanoparticles, hydrogels, and combinations with propolis or chitosan are proposed. The review is intended for researchers in antimicrobial chemotherapy and developers of new drug delivery systems. Full article
(This article belongs to the Section Pharmaceutical Science)
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16 pages, 2044 KB  
Article
Simulation-Guided Design and Synthesis of Functionalized Lactose-Crosslinked Degradable Molecularly Imprinted Polymer Nanoparticles for Sialic Acid Recognition
by Yining Li, Siqi Wang, Peifeng Li, Yinghan Zhao, Jin Chen, Ziyi Lin, Xintong Xu and Yi Ge
Polymers 2026, 18(17), 2068; https://doi.org/10.3390/polym18172068 (registering DOI) - 26 Aug 2026
Abstract
Aberrant cell-surface sialylation is widely associated with cancer progression and provides an accessible molecular feature for biosensing and targeted delivery. However, engineering molecularly imprinted polymer nanoparticles (nanoMIPs) that combine selective sialic acid (SA) recognition with controlled degradability and cytocompatibility remains challenging. In this [...] Read more.
Aberrant cell-surface sialylation is widely associated with cancer progression and provides an accessible molecular feature for biosensing and targeted delivery. However, engineering molecularly imprinted polymer nanoparticles (nanoMIPs) that combine selective sialic acid (SA) recognition with controlled degradability and cytocompatibility remains challenging. In this study, a simulation-guided strategy was used to develop hydrolytically degradable SA-imprinted nanoMIPs incorporating a functionalized lactose-based crosslinker with cleavable ester linkages. Molecular docking and quantum-chemical calculations identified N-isopropylacrylamide (NIPAM), acrylamide (AAm), and N-hydroxyethyl acrylamide (HEAA) as complementary functional monomers and established an optimized SA:NIPAM:AAm:HEAA molar ratio of 1:1:2:1. The resulting nanoMIPs were spherical and nanoscale and exhibited pH-dependent hydrolytic mass loss that was more pronounced under mildly acidic conditions than at physiological pH. Compared with non-imprinted nanoparticles, the nanoMIPs displayed substantially enhanced SA binding, with a maximum binding capacity of 89.38 μmol g−1 and an imprinting factor of approximately 4.2, together with preferential recognition of SA over the selected competing molecules. MTT assays using MCF-7, HeLa, and HaCaT cells showed cell viability above 80% after 24 h exposure to 500 μg mL−1, indicating favorable short-term cytocompatibility. By integrating computationally optimized, multicomponent SA recognition with a carbohydrate-derived, hydrolytically degradable crosslinking strategy, this work addresses the coupled requirements of binding-site fidelity and material degradability within a single nanoMIP platform. These findings establish a materials-level foundation for future SA-directed biosensing and targeted delivery systems in cancer-relevant applications. Full article
(This article belongs to the Section Smart and Functional Polymers)
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34 pages, 3169 KB  
Article
Mediterranean Dietary Transition and a Weighted Food-Related Carbon-Pressure Proxy in Portugal: Evidence from Dynamic Time-Series Analysis
by Matheus Koengkan, José Alberto Fuinhas, Irina Georgescu, Hélde Domingos and Feroz Khan
Sustainability 2026, 18(17), 8711; https://doi.org/10.3390/su18178711 - 25 Aug 2026
Abstract
Using Portuguese Food Balance Sheet data for 1990–2024, this study examines whether Mediterranean-classified food availability is associated with an annualised per-capita weighted food-related carbon-pressure proxy (WFCPP). A dynamic HAC–Newey–West model (1998–2024; 27 observations) separates dietary composition from analytical total caloric availability through orthogonalisation, [...] Read more.
Using Portuguese Food Balance Sheet data for 1990–2024, this study examines whether Mediterranean-classified food availability is associated with an annualised per-capita weighted food-related carbon-pressure proxy (WFCPP). A dynamic HAC–Newey–West model (1998–2024; 27 observations) separates dietary composition from analytical total caloric availability through orthogonalisation, while an exploratory ARDL–UECM assesses conditional level relationships. Because the WFCPP, Mediterranean dietary component, and caloric-availability control share food-group series, orthogonalisation reparameterises rather than removes their structural dependence. The baseline Mediterranean coefficient is negative (β = −0.467; p = 0.018) but becomes insignificant under HC3 inference, exclusion of 2012–2013, the Mediterranean Adequacy Index, and the per-calorie WFCPI; all block-bootstrap 95% intervals contain zero. In the selected ARDL, Mediterranean coefficients are insignificant in both the short and long run. Accordingly, H1 is not robustly supported, and H2 is unsupported; no robust Mediterranean-specific negative association is confirmed at either horizon. The analysis concerns apparent food availability and fixed dimensionless weights, not actual consumption, causal effects, or physical greenhouse-gas emissions. Full article
(This article belongs to the Special Issue Integrating the Water-Energy-Food Nexus for Sustainable Development)
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28 pages, 983 KB  
Article
Post-Cooking Quality Deterioration of Wheat (Triticum durum) During Bulgur Production
by Betul Bay-Yilmaz, Nuzhet Turker and Mustafa Bayram
Foods 2026, 15(17), 2983; https://doi.org/10.3390/foods15172983 - 25 Aug 2026
Abstract
This study characterized the pattern and timing of post-cooking quality deterioration in durum wheat held at 25, 35, and 45 °C by performing physicochemical, microbiological, and volatile compound analyses combined with a sensorially defined off-odor onset endpoint. The bulk moisture content remained high [...] Read more.
This study characterized the pattern and timing of post-cooking quality deterioration in durum wheat held at 25, 35, and 45 °C by performing physicochemical, microbiological, and volatile compound analyses combined with a sensorially defined off-odor onset endpoint. The bulk moisture content remained high throughout holding at all temperatures. Titratable acidity increased from 1.49 to 2.15, and pH at off-odor onset decreased from 6.63 to 6.49 with increasing temperature. Off-odor was detected after 50, 45, and 34 h at 25, 35, and 45 °C, respectively. Microbial growth was fastest at 35 °C (μmax = 0.0651 h−1). Thiobarbituric acid reactive substances (TBARS) values were slightly lower at 45 °C than at 25 °C, despite the shorter holding duration, whereas lipid oxidation-derived volatile aldehydes declined more sharply over the same comparison. This pattern, together with the earliest off-odor onset occurring at 45 °C, suggests that non-lipid-derived volatiles increasingly drive off-odor perception as holding temperature increases. Gas chromatography–mass spectrometry (GC–MS)-based relative odor activity value (ROAV) analysis identified 2-methoxy-4-vinylphenol, 2,4-decadienal, 2-nonenal, 2,3-butanedione, nonanal and 2-methoxyphenol as the principal contributors to the aroma profile. These findings indicate that off-odor development during post-cooking holding results from a temperature-dependent interplay between microbial and chemical deterioration pathways and provide a basis for optimizing holding time and temperature to delay off-odor onset and limit quality losses in bulgur production. Full article
(This article belongs to the Section Food Quality and Safety)
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18 pages, 10875 KB  
Article
Isolation and Characterization of a Naturally Occurring Brevundimonas vesicularis Strain Exhibiting High Phytoene Accumulation
by Zhenyi Liu, Ying Liu, Yan Zhi, Chen Mei and Hongjun Wang
Foods 2026, 15(17), 2981; https://doi.org/10.3390/foods15172981 - 25 Aug 2026
Abstract
Phytoene, a colorless precursor of carotenoids, has attracted increasing attention because of its favorable bioavailability, antioxidant activity, and potential applications in functional foods, nutraceuticals, and animal nutrition. However, its industrial utilization remains limited by low natural abundance and the dependence of current production [...] Read more.
Phytoene, a colorless precursor of carotenoids, has attracted increasing attention because of its favorable bioavailability, antioxidant activity, and potential applications in functional foods, nutraceuticals, and animal nutrition. However, its industrial utilization remains limited by low natural abundance and the dependence of current production strategies on genetic engineering or metabolic pathway manipulation. In this study, we identified and characterized a naturally occurring Brevundimonas vesicularis strain (Bv-xms2024) exhibiting pronounced phytoene accumulation without genetic modification. The strain was comprehensively characterized using morphological, biochemical, molecular, genomic, metabolomic, and transcriptional analyses. Quantitative LC–MS/MS analysis demonstrated that Bv-xms2024 accumulated phytoene to 420.42 ± 98.11 μg/g dry biomass after 96 h of cultivation, substantially exceeding the levels of downstream carotenoids, including β-carotene and astaxanthin. Optimization of cultivation parameters identified 25 °C, pH 7.0, and 96 h as the optimal conditions for phytoene accumulation, while serial passaging confirmed stable production over 20 generations. Genome annotation identified the carotenoid biosynthetic gene repertoire, while RT-qPCR analysis revealed a temporal shift from early upregulation of crtE and crtB to later upregulation of downstream pathway genes, consistent with the observed phytoene-dominant carotenoid profile. Short-term tolerance evaluations in mice and chickens revealed no observable adverse effects under the tested conditions. Collectively, these findings identify Bv-xms2024 as a promising natural microbial resource for phytoene production and provide a basis for further process development and strain-level safety evaluation. Full article
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31 pages, 13323 KB  
Article
Probing the Capsid: pH-Driven Gating at the AAV 5-Fold Pore and Its Role in Peptide Ligand Binding
by Arianna Minzoni, Benjamin Bobay, Shriarjun Shastry, Eduardo Barbieri, Brandon Brino, Crystal Collazo, Shizuo Kamita, Danni Wang, Ciera Khuu, Alexander Polgar, Joseph Siino, Sushmita Koley, Peyton Russelburg, Mark Snyder, Christopher Belisle, Michael Daniele and Stefano Menegatti
Pharmaceutics 2026, 18(9), 1053; https://doi.org/10.3390/pharmaceutics18091053 - 25 Aug 2026
Abstract
Background/Objectives: Adeno-associated virus (AAV) capsids undergo pH-dependent conformational gating at the 5-fold symmetry pore, but how these structural dynamics shape serotype-specific behavior and affinity-ligand recognition remains unclear, particularly for the clinically important serotypes AAV8 and AAV9. This study aimed to establish a pH-resolved [...] Read more.
Background/Objectives: Adeno-associated virus (AAV) capsids undergo pH-dependent conformational gating at the 5-fold symmetry pore, but how these structural dynamics shape serotype-specific behavior and affinity-ligand recognition remains unclear, particularly for the clinically important serotypes AAV8 and AAV9. This study aimed to establish a pH-resolved structural framework linking 5-fold pore dynamics to peptide-ligand recognition and to translate this framework into sequence-based design principles for affinity capture of gene therapy vectors. Methods: AAV8 and AAV9 5-fold capsid assemblies were subjected to 500 ns molecular dynamics simulations under acidic (pH 5), neutral (pH 7), and basic (pH 9) conditions, with analysis of pore volume, inter-residue contact networks, electrostatic potential, and solvent-accessible surface area. In parallel, affinity chromatography using three mixed-mode peptide ligands (RVVAVYRI, TTFRAHHI, and TYHHHHII) was performed on clarified HEK293 lysates containing AAV8 or AAV9, with capsid yield, host-cell-protein clearance, and transduction activity assessed by ELISA, SEC-HPLC, and flow-cytometry-based transduction assays. Results: AAV8 displayed a heterogeneous, bimodal pore conformational landscape at pH 7, whereas AAV9 exhibited a discrete gate-like transition with maximal pore constriction at physiological pH; both serotypes showed pore-proximal contact remodeling with distinct network topologies. Experimentally, TYHHHHII achieved the highest selectivity for genome-containing capsids at pH 7, with transduction activity enrichment factors of 2.82 (AAV8) and 5.61 (AAV9), while TTFRAHHI provided the broadest operational pH range for bulk capsid recovery. Conclusions: These findings establish a structural framework linking pH-dependent pore dynamics to affinity ligand recognition and suggest practical sequence-design rules for ligand engineering: clustered histidines for neutral-pH selectivity, Arg-containing motifs for broad-pH robustness, and aromatic or hydrophobic residues for reinforcement of capsid binding. Full article
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25 pages, 1942 KB  
Article
Partial Replacement of Corn with Jackfruit Silage Maintains Productive Performance and Carcass Characteristics of Feedlot Lambs
by Michelle Patricia Frazer Salt, Leandro Silva Nascimento, Hérick Pachêco Rodrigues, Joyanne Mirelle Sousa Ferreira, Lígia Lins Souza, Cristiane Leal dos Santos Cruz, Robério Rodrigues Silva, Gleidson Giordano Pinto de Carvalho, Stefanie Alvarenga Santos, Ícaro dos Santos Cabral, Flávio Moreira de Almeida and José Augusto Gomes Azevêdo
Animals 2026, 16(17), 2667; https://doi.org/10.3390/ani16172667 - 25 Aug 2026
Abstract
Dependence on corn may increase feed costs and supply vulnerability in tropical livestock systems. This study evaluated replacing corn with whole-fruit jackfruit (Artocarpus heterophyllus Lam.) silage in feedlot lamb diets. Sixteen castrated male Santa Inês crossbred lambs (26.2 ± 3.6 kg) received [...] Read more.
Dependence on corn may increase feed costs and supply vulnerability in tropical livestock systems. This study evaluated replacing corn with whole-fruit jackfruit (Artocarpus heterophyllus Lam.) silage in feedlot lamb diets. Sixteen castrated male Santa Inês crossbred lambs (26.2 ± 3.6 kg) received diets in which jackfruit silage replaced 0, 333, 666, or 1000 g/kg of corn dry matter in the concentrate. Jackfruit silage had lower non-fibrous carbohydrate gas volume (132.9 vs. 182.9 mL), degradation rate (0.081 vs. 0.096 h−1), and total carbohydrate gas volume (238.5 vs. 298.2 mL) than corn (p < 0.05). Dry matter intake increased linearly, whereas organic matter digestibility, final body weight, and total weight gain decreased linearly as replacement increased (p ≤ 0.011). Feed conversion ratio increased from 6.6 to 12.3 kg dry matter intake/kg gain. Nevertheless, 333 g/kg replacement maintained 98.5% of final body weight and 96.0% of total weight gain. Carcass yields and Longissimus muscle area were unaffected. One-third replacement reduced corn use by 26.2% per kilogram of gain while maintaining productive viability. Jackfruit silage is therefore a strategic partial, rather than complete, substitute for corn in tropical sheep diets. Full article
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15 pages, 439 KB  
Article
Comparative Sensitivity of Canine Swim-Up Sperm Fractions Treated with Antifreeze Protein and Trehalose Following Freeze–Thaw
by Abbas Farshad, Lukas Trzebiatowski and Axel Wehrend
Animals 2026, 16(17), 2664; https://doi.org/10.3390/ani16172664 - 25 Aug 2026
Abstract
Sperm cryopreservation is widely used in reproductive biotechnology, but the freeze–thaw process often reduces sperm quality by impairing motility, viability, and DNA integrity. This study assessed how antifreeze protein III (AFP III; 1.5 µg/mL) and trehalose (25 mM), alone or combined, influence post-thaw [...] Read more.
Sperm cryopreservation is widely used in reproductive biotechnology, but the freeze–thaw process often reduces sperm quality by impairing motility, viability, and DNA integrity. This study assessed how antifreeze protein III (AFP III; 1.5 µg/mL) and trehalose (25 mM), alone or combined, influence post-thaw sperm quality in swim-up fractions. After routine semen evaluation, ejaculates were separated into upper, native, and lower fractions and diluted in a Tris–fructose–egg yolk extender containing the additives. Post-thaw analyses covered motility, kinematic parameters, apoptosis, intracellular hydrogen peroxide (H2O2), mitochondrial activity, lipid peroxidation, viability, and DNA fragmentation. Because all fractions originated from the same ejaculate, differences among native, upper, and lower sperm populations were evaluated using a mixed-effects model with sperm fraction as a fixed effect and dog/ejaculate as a random effect. Native semen showed significant differences among fractions (p < 0.05). The upper fraction showed the highest TM and PM, together with clearly superior kinematic performance in VCL, VSL, VAP, and ALH. All these parameters were significantly higher than those measured in the lower fraction (p < 0.05). In contrast, the native fraction displayed intermediate values for TM, PM, VCL, VSL, VAP, and ALH, showing a significant difference compared with the upper fraction (p < 0.05) but no significant difference relative to the lower fraction (p > 0.05). Beat cross frequency (BCF) did not differ among groups (p > 0.05). AFP III improved motility and reduced H2O2-derived ROS (p < 0.05), whereas trehalose decreased motility (p < 0.05) but increased mitochondrial activity in the lower fraction (p < 0.05). After freezing, the upper fraction showed higher lipid peroxidation and DNA fragmentation, while the lower fraction exhibited more apoptosis and reduced viability (p < 0.05). Overall, AFP III provided the most consistent protection, and trehalose produced mixed, fraction-dependent effects, confirming that sperm subpopulation characteristics strongly influence freeze–thaw outcomes. Full article
(This article belongs to the Section Animal Reproduction)
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25 pages, 26286 KB  
Article
Effects of γ-Polyglutamic Acid on Nutrient Availability and Enzyme Activities in Coal Gangue-Based Soil
by Jing Shi and Li Feng
Agronomy 2026, 16(17), 1629; https://doi.org/10.3390/agronomy16171629 - 25 Aug 2026
Abstract
This study aimed to investigate the effects of γ-polyglutamic acid (γ-PGA) on the physicochemical properties and enzyme activities of coal gangue-based soils, focusing on how different application rates influence soil indicators and enzyme functions for ecological restoration. Soil samples with varying weathering ages [...] Read more.
This study aimed to investigate the effects of γ-polyglutamic acid (γ-PGA) on the physicochemical properties and enzyme activities of coal gangue-based soils, focusing on how different application rates influence soil indicators and enzyme functions for ecological restoration. Soil samples with varying weathering ages were collected from a coal gangue pile, and a pot experiment was conducted with five γ-PGA treatments (0–43.2 g dissolved in 300 mL water). Soil pH, electrical conductivity, nutrient contents, aggregate composition, and enzyme activities (urease and sucrase) were measured, and redundancy analysis (RDA) was applied to evaluate the relationships between soil properties and enzyme activities. γ-PGA rapidly increased soil pH and altered conductivity trends. Its effects on organic matter, nitrogen, phosphorus, and potassium were complex and dependent on both dosage and time. Optimal γ-PGA addition enhanced organic matter and nitrogen transformation, increased potassium availability, and modified water-stable aggregate distribution. Enzyme activities were significantly affected by γ-PGA dosage, exhibiting distinct initial levels and temporal trends across soils of different weathering ages. RDA revealed clear differentiation in soil properties under different treatments, with enzyme impacts evolving over time. DFT results revealed a distinct valence-dominated ion-binding hierarchy, with trivalent cations (Al3+, Cr3+, Fe3+) showing the strongest affinity, followed by divalent cations and monovalent ions/oxyanions. Overall, γ-PGA markedly improves the quality of coal gangue-based soils, providing theoretical guidance and practical reference for ecological restoration and soil management strategies. Full article
(This article belongs to the Section Soil and Plant Nutrition)
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50 pages, 6194 KB  
Article
Upstream Ecological Control of the IAA–Skatole Branch: A pH-Dependent Triple-Lock Framework for Gut-Derived Uremic Toxin Precursors
by Kana Yuasa and Hidehisa Shimizu
Toxins 2026, 18(9), 362; https://doi.org/10.3390/toxins18090362 - 24 Aug 2026
Abstract
Gut-derived indole metabolites are implicated in the gut–kidney axis, but the factors controlling the intestinal conversion of indole-3-acetic acid (IAA) to skatole remain incompletely defined. We developed a deterministic, hypothesis-generating framework that represents this conversion as a finite-pool allocation process governed by pH [...] Read more.
Gut-derived indole metabolites are implicated in the gut–kidney axis, but the factors controlling the intestinal conversion of indole-3-acetic acid (IAA) to skatole remain incompletely defined. We developed a deterministic, hypothesis-generating framework that represents this conversion as a finite-pool allocation process governed by pH-dependent ecological permissiveness, terminal-conversion capacity, precursor availability, spatial progression, and competing loss. The model separates the available-pool scale from a dimensionless integrated conversion exposure, Ψ. Across 5400 loss-free scenarios spanning 10 pH profiles and graded metabolic and host-associated constraints, the distal endpoint normalized to the available pool followed the analytically derived relationship 1expΨ. Thus, distinct combinations of mechanistically relevant parameters produced the same normalized distal endpoint, demonstrating that this endpoint alone cannot uniquely identify the underlying mechanism. Competing loss further separated absolute, total-pool-normalized, and conditional outputs, showing that mechanistic interpretation depends on endpoint normalization. Analytical and numerical checks supported internal consistency. The framework was not fitted to biological data, and concentration values were used only as technical scaling references. This biologically unvalidated model generates experimentally testable hypotheses regarding the roles of pH, terminal-conversion capacity, precursor availability, and competing loss in intestinal IAA-to-skatole metabolism; it is not intended to provide physiological or clinical predictions. Full article
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23 pages, 7697 KB  
Article
Structural Evolution of RAFT-Modified Unsaturated Polyester Copolymers: Effects of CPDT Concentration, Acidic Comonomer Structure, and Polyester Matrix Architecture
by Meruyert S. Zhunissova, Akmaral Zh. Sarsenbekova, Altynaray T. Takibayeva, Tolkyn. O. Khamitova, Aigerim Zhaxybayeva, Saltanat Kaliyeva, Balken Kuderina, Gulnaz N. Musina and Akkenzhe Bussurmanova
Molecules 2026, 31(17), 2958; https://doi.org/10.3390/molecules31172958 - 24 Aug 2026
Abstract
Unsaturated polyester resins (UPRs) represent challenging systems for reversible-deactivation radical polymerization (RDRP) because chain propagation, branching, and localized gelation may occur concurrently. This study systematically investigates the influence of the concentration of the RAFT agent 2-cyano-2-propyl dodecyl trithiocarbonate (CPDT), the chemical structure of [...] Read more.
Unsaturated polyester resins (UPRs) represent challenging systems for reversible-deactivation radical polymerization (RDRP) because chain propagation, branching, and localized gelation may occur concurrently. This study systematically investigates the influence of the concentration of the RAFT agent 2-cyano-2-propyl dodecyl trithiocarbonate (CPDT), the chemical structure of the polyester prepolymer, and the nature of the acidic comonomer on the structural evolution of RAFT-modified unsaturated polyester copolymers. Three copolymer series synthesized at different CPDT concentrations were investigated: p-EGM:AA:[CPDT], p-EGM:MAA:[CPDT], and p-PGM:MAA:[CPDT]. Structural changes were characterized using H NMR, H–H COSY, UV–Vis spectroscopy, and gel permeation chromatography (GPC). Semi-quantitative analysis of normalized H NMR integral intensities was performed using Relative Vinyl Intensity (RVI), CPDT-associated methyl intensity (MI*), and normalized aliphatic intensity (AI*) to compare changes in selected proton environments among the investigated copolymer series. Increasing CPDT concentration was accompanied by a decrease in the normalized residual maleate vinyl signal, although the magnitude of this change depended strongly on copolymer composition. The most pronounced decrease in RVI was observed for the p-EGM:AA:[CPDT] series, from 0.6291 to 0.0528, whereas substantially smaller changes were observed for the p-EGM:MAA:[CPDT] series. The MI* and AI* profiles exhibited composition-dependent variations, reflecting changes in the relative contributions of CPDT-associated methyl and overlapping aliphatic proton environments, respectively. Because the aliphatic region used for AI* contains overlapping polymer- and CPDT-derived contributions, AI* is not interpreted as a quantitative measure of polymer-backbone branching. Overall, the combined NMR and GPC/SEC results reveal composition-dependent structural changes accompanying RAFT copolymerization and demonstrate that both the polyester matrix and the acidic comonomer influence the response of these heterogeneous unsaturated polyester systems to variations in CPDT concentration. Full article
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27 pages, 3003 KB  
Article
Water Regime Modulates Extractable Phosphorus Redistribution Under Liquid and Solid Phosphorus Fertilization in High-P Alkaline Calcareous Soil
by Lucian Raus, Vlad Nicolae Arsenoaia and Diana Elena Bolohan
Agronomy 2026, 16(17), 1625; https://doi.org/10.3390/agronomy16171625 - 24 Aug 2026
Abstract
In alkaline soils rich in residual phosphorus, phosphorus availability to plants depends not only on the existing reserve, but also on the redistribution of the extractable fraction within the root-explored zone. This study evaluated the effects of water regime, fertilizer treatment, and wheat [...] Read more.
In alkaline soils rich in residual phosphorus, phosphorus availability to plants depends not only on the existing reserve, but also on the redistribution of the extractable fraction within the root-explored zone. This study evaluated the effects of water regime, fertilizer treatment, and wheat presence on the distribution of ammonium lactate-extractable phosphorus (P-AL) within the 2–8 cm layer of an alkaline calcareous Chernozem with high initial P availability (P-AL = 178.1 mg kg−1). The pot experiment compared plant-free soil (S0) and wheat-planted soil (SP), four water regimes (H0–H150; 0–150 L m−2), and four fertilization treatments: an unfertilized control (F0), a solid NPK fertilizer (FS), and a liquid NP fertilizer applied at low and high rates (FL1 and FL2). These treatments represented practical fertilization options and were not equivalent in P input, supplying 51.8, 13.9, and 27.9 mg P pot−1 for FS, FL1, and FL2, respectively. Soil and plant samples were collected at BBCH 21–22, 20 days after fertilization. Water regime was a major factor shaping P-AL redistribution, significantly affecting P-AL at all three analyzed soil depths (p < 0.001), with its effect depending on vegetation condition and fertilization treatment. Wheat presence reduced P-AL relative to S0, and apparent P-AL depletion (ΔP-AL = S0 − SP) was greatest under H0, ranging from 83 to 99 mg kg−1. FL2 produced the largest S0–SP contrasts under H0–H100, whereas under H150 the largest difference was associated with FS. Under high water input, the higher-input solid NPK treatment (FS), which supplied the largest P input and was the only treatment supplying K, was associated with the highest shoot biomass (16.7 g), root biomass (6.92 g), and root P accumulation (25.2 mg pot−1). The results indicate that P fertilization in high-P alkaline soils should be adapted to water regime, fertilizer input and application method, without allowing for direct conclusions regarding phosphorus use efficiency, total plant P uptake, or leaching losses. Full article
(This article belongs to the Special Issue Phosphorus Dynamics: Towards Sustainable Phosphorus Nutrition)
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22 pages, 5016 KB  
Article
Impact of Physico-Chemical Heterogeneity on the Reactive Transport Processes of Chromium (VI) in the Porous Medium
by Shuping Yi, Yi Liu, Pizhu Huang, Yi Deng and Zhiren Tian
Hydrology 2026, 13(9), 229; https://doi.org/10.3390/hydrology13090229 - 24 Aug 2026
Abstract
The reactive transport of hexavalent chromium (Cr(VI)) in anthropogenically disturbed sites (e.g., mine waste rock dumps, chromium salt industrial sites) is critically influenced by physico-chemical heterogeneity, yet the interplay between physical and chemical heterogeneities remains poorly understood. This study employed a series of [...] Read more.
The reactive transport of hexavalent chromium (Cr(VI)) in anthropogenically disturbed sites (e.g., mine waste rock dumps, chromium salt industrial sites) is critically influenced by physico-chemical heterogeneity, yet the interplay between physical and chemical heterogeneities remains poorly understood. This study employed a series of experiments and numerical modeling to investigate the transport of Cr(VI), focusing on the implications of physical heterogeneity—represented by preferential flow paths—and chemical heterogeneity—characterized by reductive mineral lenses. Key findings indicate that physical heterogeneity accelerates Cr(VI) breakthrough by 1.4 to 2.1 pore volumes (PV) relative to homogeneous columns. The presence of pyrite lenses delays breakthrough by 0.6–1.2 PV under neutral pH and 1.6–2.0 PV under acidic pH. At a flow rate of 3.0 m/day, the apparent sorption capacity decreases by ~62.5% compared to 0.3 m/day, indicating that physical advection largely suppresses chemical retention under high-flux conditions. The above results demonstrate that physical heterogeneity governs flow paths and advection rates, whereas chemical heterogeneity impedes transport through heterogeneous adsorption and reduction in Cr(VI) to Cr(III) along these pathways. Furthermore, the presence of preferential paths leads to greater spatial variability, which subsequently influences the interaction dynamics between Cr(VI) and reactive minerals in the aqueous environment. The dominance shifts between physical/chemical controls based on flow rates and pH. At higher flow rates, the influence of physical heterogeneity becomes more pronounced, diminishing chemical reactions due to insufficient residence time of Cr(VI). Conversely, a lower pH environment enhances pyrite dissolution, which decouples the dependency on physical heterogeneity by promoting homogeneous reactions. Further evidence was obtained through X-ray photoelectron spectroscopy (XPS) analysis. The experimental observations are complemented by TOUGHREACT-based reactive transport simulations, which further reveal that the apparent dominance shifts arise from competing timescales between advection and surface reaction. The insights gained from the study emphasize the necessity of integrating both physical and chemical spatial variability in risk assessments, transport modeling, and designing targeted remediation strategies. Full article
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