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Keywords = C-H/C-H activation

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16 pages, 1798 KB  
Article
Preparation of CoMn Layered Double Metal Oxide and Its Performance in Activating Peroxymonosulfate to Degrade Bisphenol A
by Guanyu Wang and Mengmeng Jin
Catalysts 2025, 15(10), 973; https://doi.org/10.3390/catal15100973 (registering DOI) - 11 Oct 2025
Abstract
To address the technical challenges in bisphenol A (BPA) pollution control, this research introduced a novel synthetic approach combining co-precipitation with subsequent thermal treatment to engineer layered double hydroxides (LDHs) with a spinel-structured CoMn-LDO catalyst. Systematic material characterizations such as a scanning electron [...] Read more.
To address the technical challenges in bisphenol A (BPA) pollution control, this research introduced a novel synthetic approach combining co-precipitation with subsequent thermal treatment to engineer layered double hydroxides (LDHs) with a spinel-structured CoMn-LDO catalyst. Systematic material characterizations such as a scanning electron microscope (SEM), an X-ray diffractometer (XRD), a transmission electron microscope (TEM), and X-ray photoelectron spectroscopy (XPS) were employed to analyze the structural and chemical properties of the synthesized CoMn-LDO calcined at 500 °C. The catalytic performance was evaluated under optimized conditions (35 °C, pH 7.0, 2.0 mM PMS, 0.3 g/L catalyst), and mechanistic studies were conducted to identify the dominant reactive oxygen species. The CoMn-LDO exhibited exceptional peroxymonosulfate (PMS) activation performance, achieving 96.75% BPA degradation within 90 min and 58.22% TOC removal. The synergistic redox cycling between Co2+/Co3+ and Mn3+/Mn4+ promoted the generation of ·OH (72.3% contribution) and SO4·. The catalyst demonstrated superior stability, maintaining 89% degradation efficiency after five cycles. These results provide theoretical and practical insights for developing high-efficiency persulfate-activating catalysts. Full article
17 pages, 2034 KB  
Article
Fermentation Strategies to Improve Argentinian Kefir Quality: Impact of Double Fermentation on Physicochemical, Microbial, and Functional Properties
by Raúl Ricardo Gamba, Andrea Ibáñez, Sofía Sampaolesi, Pablo Mobili and Marina Alejandra Golowczyc
Fermentation 2025, 11(10), 584; https://doi.org/10.3390/fermentation11100584 (registering DOI) - 11 Oct 2025
Abstract
This present study investigated the microbial dynamics, physicochemical and functional properties, and sensory characteristics of kefir produced by two different approaches: traditional kefir obtained directly from grains and kefir manufactured through a double-fermentation process in cow milk. For the first fermentation, kefir grains [...] Read more.
This present study investigated the microbial dynamics, physicochemical and functional properties, and sensory characteristics of kefir produced by two different approaches: traditional kefir obtained directly from grains and kefir manufactured through a double-fermentation process in cow milk. For the first fermentation, kefir grains were inoculated in milk at different levels (1%, 3%, and 5% w/v) and incubated at 30 °C for 24 h. The lowest inoculation level promoted the greatest increase in grain biomass, whereas higher inoculation levels produced more pronounced pH decreases. All products maintained stable pH values during refrigerated storage at 4 °C for 15 days. Products derived from initial fermentations with 1% and 3% inoculum were subsequently used in a second fermentation step at two inoculation levels (1% and 10% v/v) to produce double-fermentation kefir products. These products exhibited higher counts of lactic acid bacteria and reduced yeast populations compared with traditional grain kefir. After 15 days of storage, all kefir samples maintained more than 108 CFU/mL of lactic acid bacteria, more than 107 CFU/mL of acetic acid bacteria, and around 105 CFU/mL of yeasts. Protein content was comparable among all kefir products and unfermented milk. The product obtained with 1% grains followed by 10% v/v inoculation showed enhanced biofilm formation that increased during storage and displayed the strongest antimicrobial activity, and was therefore selected for sensory evaluation, where it achieved favorable acceptance by regular kefir consumers. Full article
(This article belongs to the Special Issue Traditional and Innovative Fermented Dairy Products)
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18 pages, 8061 KB  
Article
Transcriptomic Insights into the Dual-Modulatory Role of EGCG in Alleviating Glyphosate-Induced Oxidative Stress in Cucumis melo
by Qiuying Lu, Dongmiao Zhai, Yaxian Wu, Yihu Mao, Golam Jalal Ahammed, Xinzhong Zhang, Jingbo Yu and Xin Li
Int. J. Mol. Sci. 2025, 26(20), 9887; https://doi.org/10.3390/ijms26209887 (registering DOI) - 11 Oct 2025
Abstract
Glyphosate is one of the most widely used herbicides in agricultural, horticultural, and urban environments. However, its residue accumulation and oxidative damage pose serious threats to crop health and food safety. In this study, we evaluated the potential of epigallocatechin gallate, a natural [...] Read more.
Glyphosate is one of the most widely used herbicides in agricultural, horticultural, and urban environments. However, its residue accumulation and oxidative damage pose serious threats to crop health and food safety. In this study, we evaluated the potential of epigallocatechin gallate, a natural polyphenol derived from tea, to alleviate glyphosate-induced stress in melon (Cucumis melo L.). LC-MS/MS analysis revealed that EGCG significantly reduced glyphosate residues in plant tissues. Transcriptome analysis indicated that glyphosate induced extensive transcriptional reprogramming, activating genes involved in detoxification and antioxidant defense. Co-treatment with glyphosate and EGCG partially mitigated this stress response and redirected gene expression toward secondary metabolic pathways, particularly flavonoid and phenylalanine biosynthesis. Under herbicide stress, EGCG restored the transcription of key flavonoid biosynthetic genes, including PAL, C4H, CHI, and OMT. Meanwhile, EGCG also modulated the expression of APX, SOD, and GST, suggesting a selective effect on antioxidant systems. Co-expression network analysis identified key hub genes associated with oxidative stress and flavonoid metabolism. These findings demonstrate the dual regulatory role of EGCG in suppressing acute oxidative stress while enhancing metabolic adaptability, highlighting its potential as a natural additive for reducing herbicide residues in fruit crops. Full article
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19 pages, 2143 KB  
Article
Design, Characterization, and Hematopoietic Efficacy of a Fluorinated Pyrazolopiperidine Inclusion Complex
by Zhanargul Koshetova, Guldana Daulet, Assel Ten, Raushan Koizhaiganova, Lyailya Baktybayeva, Tolganay Zharkynbek, Alexey Zazybin, Tulegen Seilkhanov, Nurgul Zhumanova, Valery Dembitsky and Valentina Yu
Molecules 2025, 30(20), 4047; https://doi.org/10.3390/molecules30204047 (registering DOI) - 11 Oct 2025
Abstract
A novel inclusion complex of a fluorinated pyrazolopiperidine derivative (5-benzyl-7-(2-fluorobenzylidene)-2,3-bis(2-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo [4,3-c]pyridine hydrochloride, PP·HCl) with β-cyclodextrin (PPβCD) was designed, synthesized, and characterized as a potential therapeutic agent for chemotherapy-induced myelosuppression and lymphopenia. Encapsulation of PP within β-cyclodextrin increased aqueous solubility by approximately [...] Read more.
A novel inclusion complex of a fluorinated pyrazolopiperidine derivative (5-benzyl-7-(2-fluorobenzylidene)-2,3-bis(2-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo [4,3-c]pyridine hydrochloride, PP·HCl) with β-cyclodextrin (PPβCD) was designed, synthesized, and characterized as a potential therapeutic agent for chemotherapy-induced myelosuppression and lymphopenia. Encapsulation of PP within β-cyclodextrin increased aqueous solubility by approximately 3.4-fold and improved dissolution rate by 2.8-fold compared with the free compound. Structural analysis using IR, ^1H/^13C NMR, and TLC confirmed the formation of a stable 1:1 host–guest complex, and the disappearance of free PP signals further supported complete encapsulation. In vivo evaluation in a cyclophosphamide-induced myelosuppression model demonstrated that PPβCD accelerated hematopoietic recovery, restoring leukocyte and erythrocyte counts 35–40% faster than methyluracil, without any signs of systemic toxicity. These findings indicate that β-cyclodextrin complexation significantly enhances solubility, dissolution, and biological efficacy of the pyrazolopiperidine scaffold, supporting further preclinical development of PPβCD as a supportive therapy for chemotherapy-related hematological complications. Full article
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22 pages, 3033 KB  
Article
Unveiling Silver Catalysis to Access 5-Substituted Tetrazole Through [3+2]Cycloaddition Reaction, Utilizing Novel Silver Supramolecular Coordination Polymer-Based Catalyst: A New Green Horizon
by Mohamed M. El-bendary, Abdullah Akhdhar, Bambar Davaasuren, Abdullah S. Al-Bogami and Tamer S. Saleh
Catalysts 2025, 15(10), 969; https://doi.org/10.3390/catal15100969 (registering DOI) - 10 Oct 2025
Abstract
A novel Ag(I) coordination polymer, [Ag2(bipy)(btca)]n, (SCP 1) was synthesized using 4,4′-bipyridyl (bipy) and 1,2,4,5-benzene-tetracarboxylic acid (H4BTC). Characterization by FT-IR, 1H/13C NMR, and single-crystal X-ray diffraction confirmed its 3D network structure. The [...] Read more.
A novel Ag(I) coordination polymer, [Ag2(bipy)(btca)]n, (SCP 1) was synthesized using 4,4′-bipyridyl (bipy) and 1,2,4,5-benzene-tetracarboxylic acid (H4BTC). Characterization by FT-IR, 1H/13C NMR, and single-crystal X-ray diffraction confirmed its 3D network structure. The structure of SCP 1 consists of two chains arranged in …ABAB… fashion. Chain A is one-dimensional, containing [Ag(4,4′-bipy)]n chain, while chain B is free, containing uncoordinated 1,2,4,5-benzene tetracarboxylate and water molecules. The stacking and argentophilic interactions extend the chain A of [Ag(4,4′-bipy)]n into a two-dimensional layer. In contrast, chain B of uncoordinated 1,2,4,5-benzene tetracarboxylate and water molecules form a 1-D chain through extensive hydrogen bonds between water molecules and BTC ions and between water molecules themselves. Chains A and B are connected through extensive hydrogen bonds, generating a three-dimensional network structure. This Silver I supramolecular coordination polymer (SCP 1) demonstrated high catalytic activity as a recyclable heterogeneous catalyst for the synthesis of 5-substituted 1H-tetrazoles via [3+2] cycloaddition of NaN3 and terminal nitriles under solvent-free conditions in a Q-tube pressure reactor (yields: 94–99%). A mechanistic proposal involving cooperative Lewis acidic Ag(I) sites and Brønsted acidic -COOH groups facilitates the cycloaddition and protonation steps. SCP 1 catalyst exhibits reusability up to 4 cycles without significant loss of activity. The structural stability of the SCP 1 catalyst was assessed based on PXRD and FTIR analyses of the catalyst after usage, confirming its integrity during the recycling process. Full article
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27 pages, 3885 KB  
Article
Experimental and Machine Learning-Based Assessment of Fatigue Crack Growth in API X60 Steel Under Hydrogen–Natural Gas Blending Conditions
by Nayem Ahmed, Ramadan Ahmed, Samin Rhythm, Andres Felipe Baena Velasquez and Catalin Teodoriu
Metals 2025, 15(10), 1125; https://doi.org/10.3390/met15101125 - 10 Oct 2025
Abstract
Hydrogen-assisted fatigue cracking presents a critical challenge to the structural integrity of legacy carbon steel natural gas pipelines being repurposed for hydrogen transport, posing a major barrier to the deployment of hydrogen infrastructure. This study systematically evaluates the fatigue crack growth (FCG) behavior [...] Read more.
Hydrogen-assisted fatigue cracking presents a critical challenge to the structural integrity of legacy carbon steel natural gas pipelines being repurposed for hydrogen transport, posing a major barrier to the deployment of hydrogen infrastructure. This study systematically evaluates the fatigue crack growth (FCG) behavior of API 5L X60 pipeline steel under varying hydrogen–natural gas (H2–NG) blending conditions to assess its suitability for long-term hydrogen service. Experiments are conducted using a custom-designed autoclave to replicate field-relevant environmental conditions. Gas mixtures range from 0% to 100% hydrogen by volume, with tests performed at a constant pressure of 6.9 MPa and a temperature of 25 °C. A fixed loading frequency of 8.8 Hz and load ratio (R) of 0.60 ± 0.1 are applied to simulate operational fatigue loading. The test matrix is designed to capture FCG behavior across a broad range of stress intensity factor values (ΔK), spanning from near-threshold to moderate levels consistent with real-world pipeline pressure fluctuations. The results demonstrate a clear correlation between increasing hydrogen concentration and elevated FCG rates. Notably, at 100% hydrogen, API X60 specimens exhibit crack propagation rates up to two orders of magnitude higher than those in 0% hydrogen (natural gas) conditions, particularly within the Paris regime. In the lower threshold region (ΔK ≈ 10 MPa·√m), the FCG rate (da/dN) increased nonlinearly with hydrogen concentration, indicating early crack activation and reduced crack initiation resistance. In the upper Paris regime (ΔK ≈ 20 MPa·√m), da/dNs remained significantly elevated but exhibited signs of saturation, suggesting a potential limiting effect of hydrogen concentration on crack propagation kinetics. Fatigue life declined substantially with hydrogen addition, decreasing by ~33% at 50% H2 and more than 55% in pure hydrogen. To complement the experimental investigation and enable predictive capability, a modular machine learning (ML) framework was developed and validated. The framework integrates sequential models for predicting hydrogen-induced reduction of area (RA), fracture toughness (FT), and FCG rate (da/dN), using CatBoost regression algorithms. This approach allows upstream degradation effects to be propagated through nested model layers, enhancing predictive accuracy. The ML models accurately captured nonlinear trends in fatigue behavior across varying hydrogen concentrations and environmental conditions, offering a transferable tool for integrity assessment of hydrogen-compatible pipeline steels. These findings confirm that even low-to-moderate hydrogen blends significantly reduce fatigue resistance, underscoring the importance of data-driven approaches in guiding material selection and infrastructure retrofitting for future hydrogen energy systems. Full article
(This article belongs to the Special Issue Failure Analysis and Evaluation of Metallic Materials)
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16 pages, 2587 KB  
Article
Hibiscus syriacus Bud ‘Pyeonghwa’ Water Extract Inhibits Adipocyte Differentiation and Mitigates High-Fat-Diet-Induced Obesity In Vivo
by Shin-Hye Kim, Hye-Lim Shin, Tae Hyun Son, Dongsoo Kim, Hae-Yun Kwon, Hanna Shin, Yunmi Park and Sik-Won Choi
Int. J. Mol. Sci. 2025, 26(20), 9870; https://doi.org/10.3390/ijms26209870 (registering DOI) - 10 Oct 2025
Abstract
Obesity, characterized by the accumulation of excess adipocytes, is a significant risk factor for type 2 diabetes and non-alcoholic fatty liver disease. Medicinal plants, including Hibiscus sabdariffa, have been traditionally employed to prevent or treat conditions such as obesity and inflammation due [...] Read more.
Obesity, characterized by the accumulation of excess adipocytes, is a significant risk factor for type 2 diabetes and non-alcoholic fatty liver disease. Medicinal plants, including Hibiscus sabdariffa, have been traditionally employed to prevent or treat conditions such as obesity and inflammation due to their safety profile and minimal side effects during long-term use. However, the anti-obesity potential of Hibiscus syriacus, a taxonomically distinct species within the same genus, remains unexplored. In this study, we screened 181 varieties of H. syriacus buds for anti-obesity effects and identified the water extract of the ‘Pyeonghwa’ bud (HPWE) as a potent inhibitor of adipogenesis. Using 3T3-L1 murine pre-adipocyte cells, we demonstrated that HPWE significantly reduced lipid accumulation without inducing cytotoxicity. Mechanistically, HPWE downregulated the expression of key adipogenic signaling proteins and transcription factors, including peroxisome proliferator-activated receptor gamma (PPARγ) and CCAAT/enhancer-binding protein alpha (C/EBPα), which serve as molecular markers of adipogenesis. Additionally, in vivo experiments employing a high-fat-diet-induced obesity mouse model using C57BL/6 species confirmed the anti-obesity effects of HPWE. Collectively, these findings suggest that HPWE represents a promising candidate for the prevention of obesity. Full article
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19 pages, 1457 KB  
Article
Development and Evaluation of Hyaluronic Acid-Chitosan Coated Liposomes for Enhanced Delivery of Resveratrol to Breast Cancer Cells
by Yin Yin Myat, Khin Khin Gyi, Pornthida Riangjanapatee, Chuda Chittasupho, Songyot Anuchapreeda and Siriporn Okonogi
Polysaccharides 2025, 6(4), 93; https://doi.org/10.3390/polysaccharides6040093 - 10 Oct 2025
Abstract
Resveratrol (RES), a naturally occurring polyphenolic compound with well-documented anticancer potential, is limited in clinical application due to its poor aqueous solubility and low bioavailability. This study aimed to develop RES-loaded liposomes coated sequentially with chitosan (CS) and hyaluronic acid-chitosan (HA) (RES-HA-CS-Lip) to [...] Read more.
Resveratrol (RES), a naturally occurring polyphenolic compound with well-documented anticancer potential, is limited in clinical application due to its poor aqueous solubility and low bioavailability. This study aimed to develop RES-loaded liposomes coated sequentially with chitosan (CS) and hyaluronic acid-chitosan (HA) (RES-HA-CS-Lip) to enhance RES stability, delivery, and anticancer efficacy in breast cancer cells. HA-CS-coated liposomes were prepared using a thin-film hydration technique. Their physicochemical characteristics were thoroughly investigated through dynamic light scattering, transmission electron microscopy, Fourier transform infrared spectroscopy, and differential scanning calorimetry. The optimized RES-HA-CS-Lip exhibited spherical morphology with an average particle size of 212 nm, a narrow polydispersity index (<0.4), a zeta potential of +9.04 ± 1.0 mV, and high entrapment efficiency of 82.16%. Stability studies demonstrated superior retention of size, surface charge, and encapsulation efficiency over 28 days at both 4 °C and 25 °C. In vitro release profiles at physiological and acidic pH revealed sustained drug release, with enhanced release under acidic conditions mimicking the tumor microenvironment. Antioxidant activity, assessed via DPPH and ABTS radical-scavenging assays, indicated that RES retained its radical-scavenging potential upon encapsulation. Cytotoxicity assays demonstrated markedly improved anticancer activity against MCF-7 breast cancer cells, with an IC50 of 13.08 μg/mL at 48 h, while maintaining high biocompatibility toward normal HaCaT keratinocytes. RES-HA-CS-Lip demonstrated excellent stability against degradation and aggregation. Overall, these findings highlight HA-CS-coated liposomes as a promising polysaccharide-based nanocarrier that enhances stability, bioactivity, and therapeutic efficacy of RES, representing a potential strategy for targeted breast cancer therapy. Full article
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18 pages, 4082 KB  
Article
Electrochemical and Gravimetric Assessment of Steel Rebar Corrosion in Chloride- and Carbonation-Induced Environments
by Sejong Kim and Jong Kwon Choi
Buildings 2025, 15(20), 3647; https://doi.org/10.3390/buildings15203647 - 10 Oct 2025
Abstract
This study investigates the corrosion performance of reinforced steel in concrete subjected to carbonation and chloride ingress. Four systems were examined: normal concrete (NC15), chloride-exposed (ClC15), carbonated (COC15), and chloride-exposed carbonated concrete (COClC15). A comprehensive assessment was carried out using electrochemical testing, gravimetric [...] Read more.
This study investigates the corrosion performance of reinforced steel in concrete subjected to carbonation and chloride ingress. Four systems were examined: normal concrete (NC15), chloride-exposed (ClC15), carbonated (COC15), and chloride-exposed carbonated concrete (COClC15). A comprehensive assessment was carried out using electrochemical testing, gravimetric weight loss, chloride profiling, Temkin adsorption isotherm modeling, and SEM analysis. Electrochemical results showed a marked increase in corrosion activity under combined chloride–carbonation exposure. The highest corrosion current density (icorr) was obtained in COClC15 (0.4779 µA/cm2), compared with only 0.0106 µA/cm2 for NC15. Gravimetric analysis confirmed these findings, with COClC15 exhibiting a corrosion rate nearly 1.5 times greater than ClC15 and 52 times higher than NC15 after 120 days. Chloride profiling revealed reduced binding efficiency in carbonated concrete; at 5 mm depth, COClC15 bound only 0.06% chloride, while ClC15 retained 0.43%. The Temkin adsorption isotherm further quantified the weakened binding capacity. The binding coefficient (β) of COClC15 was considerably lower than ClC15 and NC15, reflecting the impact of C–S–H decalcification and aluminate phase transformation into carboaluminates, which restrict Friedel’s salt formation. SEM micrographs corroborated these observations, showing extensive microstructural degradation in COClC15. This study revealed that the synergy of carbonation and chloride ingress reduces chloride-binding capacity, accelerates depassivation, and severely compromises the durability of reinforced concrete in aggressive environments. Full article
(This article belongs to the Special Issue Research on Corrosion Resistance of Reinforced Concrete)
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17 pages, 2535 KB  
Article
Straw-Increased C/N Ratio Mitigates Nitrate Leaching in Fluvial Soil by Enhancing Microbial N Pool and Reducing N Mineralization
by Yuhan Hu, Chunyuan Zhao, Wenwen Zhang, Peng Zhao, Shiyu Qin, Yupeng Zhang and Fuqing Sui
Agronomy 2025, 15(10), 2371; https://doi.org/10.3390/agronomy15102371 (registering DOI) - 10 Oct 2025
Abstract
Excessive application of nitrogen (N) fertilizer increases the risk of soil NO3-N leaching in fluvial soil, threatening soil and groundwater quality and safety. Enhancing soil carbon (C) by returning straw to the field can efficiently improve soil quality. The process [...] Read more.
Excessive application of nitrogen (N) fertilizer increases the risk of soil NO3-N leaching in fluvial soil, threatening soil and groundwater quality and safety. Enhancing soil carbon (C) by returning straw to the field can efficiently improve soil quality. The process of increasing C/N by straw returning to regulate soil nitrogen transformation and mitigate NO3-N leaching, and the ecological threshold of straw application rate in fluvial soil need to be further explored. This study aims to research a series of soil C/N ratio treatments (including no straw, CK; C/N of 15, 20, 25, 30, 35 and 40), which were set up by adding straw at different application rates, and to investigate the underlying process of increasing C/N ratio by incorporating straw to mitigate NO3-N leaching. As the soil C/N ratio increased, the total soil nitrogen showed a fluctuating increase with the highest value in S40 treatment (increased by 358 mg kg−1), while the NO3-N leaching amount reached the lowest value at the C/N ratio of 20, with an average reduction of 45% (decreased by 29.3 mg kg−1). Increasing soil C/N ratio significantly increased soil microbial biomass, cellulase, urease and N-acetyl-β-D-glucosaminidase activities while it decreased the net N mineralization rate, ammonification rate and nitrification rate. Principal component analysis showed that the NO3-N leaching was positively correlated with the ammonification rate, nitrification rate and net N mineralization rate, and negatively correlated with the abundances of bacteria, fungi and nitrogen-fixing genes (nifH) (p < 0.01). Structural equation model analysis showed that straw-regulated C/N, dissolved organic N and soil fungi were the most important factors affecting NO3-N leaching, followed by the ammonification rate. Overall, increasing soil C/N by adding straw could enhance soil microbial biomass (especially fungi) and enzyme activities to promote soil N storage and reduce net N mineralization, ammonification and nitrification to decrease NO3-N leaching. Full article
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16 pages, 4408 KB  
Article
AlphaFold-Guided Semi-Rational Engineering of an (R)-Amine Transaminase for Green Synthesis of Chiral Amines
by Xiaole Yang, Xia Tian, Ruizhou Tang, Jiahuan Li, Xuning Zhang and Tingting Li
Biomolecules 2025, 15(10), 1435; https://doi.org/10.3390/biom15101435 - 10 Oct 2025
Abstract
Chiral amines are vital structural motifs in pharmaceuticals and agrochemicals, where enantiomeric purity governs bioactivity and environmental behavior. We identified a novel (R)-selective amine transaminase (MwoAT) from Mycobacterium sp. via genome mining, which exhibits activity toward the synthesis of the chiral [...] Read more.
Chiral amines are vital structural motifs in pharmaceuticals and agrochemicals, where enantiomeric purity governs bioactivity and environmental behavior. We identified a novel (R)-selective amine transaminase (MwoAT) from Mycobacterium sp. via genome mining, which exhibits activity toward the synthesis of the chiral amine (R)-1-methyl-3-phenylpropylamine. The enzyme displayed optimal activity at pH 7.0 and 40 °C, with high thermostability and solvent tolerance. Using an AlphaFold3-guided semi-rational engineering strategy integrating molecular docking, alanine scanning, and saturation mutagenesis, residue L175 was pinpointed as critical for substrate binding. The resulting L175G variant exhibited a 2.1-fold increase in catalytic efficiency (kcat/Km) and improved thermal stability. Applied to the asymmetric synthesis of (R)-1-methyl-3-phenylpropylamine—a precursor for the antihypertensive drug dilevalol and potential scaffold for crop protection agents—the mutant achieved 26.4% conversion with ≥99.9% ee. The enzyme also accepted several ketones relevant to agrochemical synthesis, underscoring its versatility. This work delivers an engineered biocatalyst for sustainable chiral amine production and demonstrates an AI-assisted protein engineering framework applicable to both medicinal and agricultural chemistry. Full article
(This article belongs to the Section Enzymology)
20 pages, 3084 KB  
Article
Biodegradation of Low-Density Polyethylene by Native Aspergillus Strains Isolated from Plastic-Contaminated Soil
by Walter Rojas-Villacorta, Magaly De La Cruz-Noriega, Nélida Milly Otiniano, Nicole Terrones-Rodríguez and Claudio Quiñones-Cerna
Sustainability 2025, 17(20), 8983; https://doi.org/10.3390/su17208983 (registering DOI) - 10 Oct 2025
Abstract
Plastic pollution is a pressing global environmental challenge, and low-density-polyethylene (LDPE) is among the most persistent synthetic polymers. This study investigates the in vitro biodegradation of LDPE by native Aspergillus strains isolated from plastic-contaminated soils in Trujillo, Peru. Molecular techniques were used to [...] Read more.
Plastic pollution is a pressing global environmental challenge, and low-density-polyethylene (LDPE) is among the most persistent synthetic polymers. This study investigates the in vitro biodegradation of LDPE by native Aspergillus strains isolated from plastic-contaminated soils in Trujillo, Peru. Molecular techniques were used to identify the Aspergillus species. The LDPE strips were incubated for 50 days, and biodegradation was evaluated by weight loss (%), pH variation, Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM). Likewise, the reduction rate and half-life of the polymer (t1/2) were calculated. Three strains of AspergillusA. niger H1C, A. ochraceopetaliformis H3C, and A. tamarii H6C—were isolated and evaluated for their ability to LDPE under in vitro conditions. A. niger H1C exhibited the most weight reduction (4.25 ± 1.67%) and a polymer half-life of 897.89 days, while A. tamarii H6C demonstrated a comparable loss (3.79 ± 1.52%) with a half-life of 901.6 days. A. ochraceopetaliformis H3C exhibited a moderate degradation (1.98 ± 0.37%), with the longest half-life recorded at 1757.33 days. The process was supported by pH variations. Furthermore, FTIR and SEM analyses revealed structural modifications in LDPE including formation of hydroxyl, carbonyl, and ether groups, suggesting oxidative and enzymatic activity-possibly mediated by lipases induced under lipid-rich conditions. This is the first report of A. ochraceopetaliformis and A. tamarii, highlighting their potential in sustainable plastic bioremediation strategies aligned with SDG 13 (Climate Action). Full article
(This article belongs to the Special Issue Plastic Debris and Environmental Sustainability)
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30 pages, 51386 KB  
Article
Aspirin Eugenol Ester Alleviates Vascular Endothelial Ferroptosis by Enhancing Antioxidant Ability and Inhibiting the JNK/c-Jun/NCOA4/FTH Signaling Pathway
by Ji Feng, Qi Tao, Zhi-Jie Zhang, Qin-Fang Yu, Ya-Jun Yang and Jian-Yong Li
Antioxidants 2025, 14(10), 1220; https://doi.org/10.3390/antiox14101220 - 10 Oct 2025
Abstract
Oxidative stress occurs within bovine when exposed to harmful stimuli, accompanied by substantial accumulation of reactive oxygen species. Without timely clearance, these reactive oxygen species attack vascular endothelial cells, concurrently inducing extensive production of lipid peroxides within the vascular endothelium, and thereby triggering [...] Read more.
Oxidative stress occurs within bovine when exposed to harmful stimuli, accompanied by substantial accumulation of reactive oxygen species. Without timely clearance, these reactive oxygen species attack vascular endothelial cells, concurrently inducing extensive production of lipid peroxides within the vascular endothelium, and thereby triggering ferroptosis. Aspirin eugenol ester (AEE) showed pharmacological activity against oxidative stress-induced vascular endothelial damage. However, whether it could alleviate vascular endothelial damage by inhibiting ferroptosis remains unclear. This study aimed to evaluate the effects of AEE on vascular endothelial ferroptosis and elucidate its underlying molecular mechanisms. This study established vascular endothelial damage models in vitro and in vivo to explore the ability of AEE to inhibit ferroptosis and oxidative stress by measuring ferroptosis- and oxidative stress-related biomarkers. Transcriptomic and network pharmacology analyses were performed to identify AEE-regulated pathways and key targets. Validation of the pathways were conducted using molecular docking, cellular thermal shift assay, and specific protein agonists/inhibitors. AEE inhibited oxidative stress and ferroptosis in bovine aortic endothelial cells induced by hydrogen peroxide (H2O2) or RSL3 via suppressing the upregulation of ferroptosis-related genes and enhancing the expression of antioxidant genes. Transcriptomic and network pharmacology analyses identified JNK as a core target of AEE in regulating ferroptosis. JNK agonists enhanced H2O2-induced ferritinophagy; on the contrary, JNK inhibitors alleviated it. AEE suppressed H2O2-induced phosphorylation of JNK/c-Jun and ferritinophagy. In a carrageenan-induced rat aortic vascular endothelial damage model, AEE alleviated vascular endothelial damage and ferroptosis-related gene changes, promoted antioxidant gene expression, and inhibited JNK/c-Jun phosphorylation and ferritinophagy. AEE inhibited vascular endothelial ferroptosis by enhancing antioxidant ability, blocking downstream ferritinophagy, and reducing ferrous ion release. Full article
(This article belongs to the Section Aberrant Oxidation of Biomolecules)
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16 pages, 6997 KB  
Article
Ascorbic Acid Priming Boosts Cotton Seed Chilling Tolerance via Membrane Stability and Antioxidant Cycles
by Peng Han, Haixia Ma, Lu Lu, Jincheng Zhu, Xinhui Nie, Jianwei Xu and Zhibo Li
Plants 2025, 14(20), 3122; https://doi.org/10.3390/plants14203122 - 10 Oct 2025
Abstract
Low-temperature stress severely restricts cotton seed germination and seedling establishment, especially in early spring. Ascorbic acid (AsA) priming is a promising strategy to enhance stress tolerance, yet its mechanisms in cotton remain unclear. This study examined the effects of AsA priming on seed [...] Read more.
Low-temperature stress severely restricts cotton seed germination and seedling establishment, especially in early spring. Ascorbic acid (AsA) priming is a promising strategy to enhance stress tolerance, yet its mechanisms in cotton remain unclear. This study examined the effects of AsA priming on seed germination at 15 °C. Seeds were treated with 0, 25, 50, or 100 mg/L AsA for 3, 6, 12, or 24 h. Results showed that 50 mg/L AsA for 24 h significantly improved germination potential, rate, index, and promptness index (p < 0.05). Compared with water-primed seeds, AsA-primed seeds exhibited greater radicle length (+17.67%) and fresh weight (+136.26%) under chilling stress. This treatment markedly increased antioxidant enzyme activities, including POD (+196.74%), SOD (+43.81%), and CAT (+49.43%), while also promoting the accumulation of Ascorbate–Glutathione cycle-related enzymes and metabolites, thereby reinforcing the antioxidant defense system. Multidimensional statistical analyses further indicated that AsA enhanced root growth by stimulating antioxidant defenses while inducing a trade-off that slightly reduced fresh weight, suggesting a balance between growth and oxidative protection. Overall, AsA priming improves cotton seed cold tolerance by activating enzymatic and non-enzymatic antioxidant systems and mediating a growth–defense trade-off, underscoring its potential as an effective priming agent for early sowing under low-temperature stress. Full article
(This article belongs to the Special Issue Plant Functioning Under Abiotic Stress)
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14 pages, 1824 KB  
Article
Homometallic 2D Cd2+ and Heterometallic 3D Cd2+/Ca2+, Cd2+/Sr2+ Metal–Organic Frameworks Based on an Angular Tetracarboxylic Ligand
by Rafail P. Machattos, Nikos Panagiotou, Vasiliki I. Karagianni, Manolis J. Manos, Eleni E. Moushi and Anastasios J. Tasiopoulos
Materials 2025, 18(20), 4647; https://doi.org/10.3390/ma18204647 - 10 Oct 2025
Abstract
This study reports on the synthesis, structural characterization and gas sorption studies of a homometallic 2D Cd2+ MOF and two heterometallic 3D Cd2+/Ca2+ and Cd2+/Sr2+ -MOFs based on the angular tetracarboxylic ligand 3,3′,4,4′-sulfonyltetracarboxylic acid (H4 [...] Read more.
This study reports on the synthesis, structural characterization and gas sorption studies of a homometallic 2D Cd2+ MOF and two heterometallic 3D Cd2+/Ca2+ and Cd2+/Sr2+ -MOFs based on the angular tetracarboxylic ligand 3,3′,4,4′-sulfonyltetracarboxylic acid (H4STBA). The homometallic 2D Cd2+ MOF with the formula [NH2(CH3)2]+2[Cd(STBA)]2−n·nDMF·1.5nH2O—(1)n·nDMF·1.5nH2O was synthesized from the reaction of CdCl2·H2O and 3,3′,4,4′-diphthalic sulfonyl dianhydride (3,3′,4,4′-DPSDA) with stoichiometric ratio of 1:1.3 in DMF/H2O (5/2 mL) at 100 °C. The two heterometallic Cd2+/Ca2+ and Cd2+/Sr2+ compounds were prepared from analogous reactions to this afforded (1)n·nDMF·1.5nH2O with the difference that the reaction mixture also contained AE(NO3)2 (AE2+ = Ca2+ or Sr2+) and, in particular, from the reaction of AE(NO3)2, CdCl2·H2O and 3,3′,4,4′-DPSDA with stoichiometric ratio 1:1.1:1.4 in DMF/H2O (5/2 mL) at 100 °C. Notably, compounds [CdCa(STBA)(H2O)2]n·0.5nDMF—(2)n·0.5nDMF and [CdSr(STBA)(H2O)2]n·0.5nDMF—(3)n·0.5nDMF are the first heterometallic compounds Mn+/AE2+ (M = any metal ion) reported containing ligand H4STBA. The structure of (1)n·nDMF·1.5nH2O comprises a 2D network based on helical 1D chain secondary building unit (SBU) [Cd2+(STBA)4−)]2−. The 2D sheets are linked through hydrogen bonding interactions, giving rise to a pseudo-3D structure. On the other hand, compounds (2)n·1.5nH2O and (3)n·1.5nH2O display 3D microporous structures consisting of a helical 1D chain SBU [Cd2+AE2+(STBA)4−)]. All three compounds contain rhombic channels along c axes. The three MOFs exhibit an appreciable thermal stability, up to 350–400 °C. Gas sorption measurements on activated materials (2)n and (3)n revealed moderate BET surface areas of 370 m2/g and 343 m2/g, respectively, along with CO2 uptake capacity of 2.58 mmol/g at 273 K. Full article
(This article belongs to the Special Issue Synthesis and Applications of Metal–Organic Frameworks)
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