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Keywords = N2O decomposition

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24 pages, 4210 KB  
Article
Influence of Mineral Fillers on the Curing Process and Thermal Degradation of Polyethylene Glycol Maleate–Acrylic Acid-Based Systems
by Gulsym Burkeyeva, Anna Kovaleva, Danagul Muslimova, David Havlicek, Abylaikhan Bolatbay, Yelena Minayeva, Aiman Omasheva, Elmira Zhakupbekova and Margarita Nurmaganbetova
Polymers 2025, 17(19), 2675; https://doi.org/10.3390/polym17192675 - 3 Oct 2025
Abstract
For the first time, the kinetics of isothermal curing and thermal degradation of polyethylene glycol maleate (pEGM)–based systems and their composites with mineral fillers were investigated in the presence of a benzoyl peroxide/N,N-Dimethylaniline redox-initiating system. DSC analysis revealed that the curing process at [...] Read more.
For the first time, the kinetics of isothermal curing and thermal degradation of polyethylene glycol maleate (pEGM)–based systems and their composites with mineral fillers were investigated in the presence of a benzoyl peroxide/N,N-Dimethylaniline redox-initiating system. DSC analysis revealed that the curing process at 20 °C can be described by the modified Kamal autocatalytic model; the critical degree of conversion (αc) decreases with increasing content of the unsaturated polyester pEGM and in the presence of fillers. In particular, for unfilled systems, αc was 0.77 for pEGM45 and 0.60 for pEGM60. TGA results demonstrated that higher pEGM content and the incorporation of fillers lead to increased thermal stability and residual mass, along with a reduction in the maximum decomposition rate (dTGₘₐₓ). Calculations using the Kissinger–Akahira–Sunose and Friedman methods also confirmed an increase in the activation energy of thermal degradation (Ea): EKAS was 419 kJ/mol for pEGM45 and 470 kJ/mol for pEGM60, with the highest values observed for pEGM60 systems with fillers (496 kJ/mol for SiO2 and 514 kJ/mol for CaCO3). Rheological studies employing three-interval thixotropy tests revealed the onset of thixotropic behavior upon filler addition and an increase in structure recovery after deformation of up to 56%. These findings underscore the potential of pEGM-based systems for low-temperature curing and for the design of composite materials with improved thermal resistance. Full article
(This article belongs to the Section Polymer Analysis and Characterization)
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17 pages, 4463 KB  
Article
Proposal for Self-Degrading Power Cables Incorporating Graphitic Carbon Nitride to Address Electronic Waste Challenges and Evaluation of Decomposition Efficiencies
by Satoshi Horikoshi, Kanon Hirota and Nick Serpone
Molecules 2025, 30(19), 3951; https://doi.org/10.3390/molecules30193951 - 1 Oct 2025
Abstract
This study addresses challenges in recycling electronic waste (e-waste) by developing a self-degrading electrical wire coating material using graphitic carbon nitride (g-C3N4). Two types, melamine-derived carbon nitride (MCN) and urea-derived carbon nitride (UCN), were synthesized and evaluated for their [...] Read more.
This study addresses challenges in recycling electronic waste (e-waste) by developing a self-degrading electrical wire coating material using graphitic carbon nitride (g-C3N4). Two types, melamine-derived carbon nitride (MCN) and urea-derived carbon nitride (UCN), were synthesized and evaluated for their photocatalytic activity by measuring the decolorization rate of rhodamine-B (RhB). UCN demonstrated superior photocatalytic performance compared to the widely used TiO2. When incorporated into PVC film, UCN achieved a maximum weight loss of 68% in photodegradation tests after 40 days of irradiation, contributing to reduced environmental impact. A UCN-mixed coating for a vinyl-insulated cable prototype showed that photodecomposition in water facilitated copper wire separation. The study also indicated that water is vital for the decomposition process, while UCN enhanced stiffness and tensile strength of the material without compromising elongation and electrical insulation properties. Full article
(This article belongs to the Special Issue Solid Waste and Fly Ash Chemical Treatment Methods—2nd Edition)
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20 pages, 2611 KB  
Article
Evaluation of Antioxidant Function of Palygorskite and Its Derivatives In Vitro and for Broilers
by Tie Gao, Shengjia Wang, Yiding Yang, Jibo Li and Yanmin Zhou
Antioxidants 2025, 14(10), 1181; https://doi.org/10.3390/antiox14101181 - 27 Sep 2025
Abstract
This study aimed to investigate the antioxidant properties of natural palygorskite (N-pal), bundle-dissociated palygorskite (D-pal), and zinc-bearing palygorskite (Zn-pal), as well as their effects on the antioxidant capacity of broilers. Palygorskite (Pal) and its derivatives exhibited hydrogen peroxide (H2O2) [...] Read more.
This study aimed to investigate the antioxidant properties of natural palygorskite (N-pal), bundle-dissociated palygorskite (D-pal), and zinc-bearing palygorskite (Zn-pal), as well as their effects on the antioxidant capacity of broilers. Palygorskite (Pal) and its derivatives exhibited hydrogen peroxide (H2O2) decomposition and hydroxyl radical (·OH) scavenging abilities, with D-pal and Zn-pal demonstrating superior performance. A total of 320 one-day-old Arbor Acres broilers were randomly divided into 4 groups: control, N-pal, D-pal and Zn-pal groups. The corn–soybean meal basal diet was supplemented with N-pal (10 g/kg), D-pal (5 g/kg) and Zn-pal (1 g/kg) for the respective treatment groups. The trial lasted for 42 days. At 21 days, D-pal and Zn-pal groups significantly increased average body weight and average daily weight gain while reducing the feed-to-gain ratio (p < 0.05). Both reactive oxygen species (ROS) and malondialdehyde (MDA) levels in liver of broilers were significantly reduced, and glutathione peroxidase 1 (GPX1) gene expression was upregulated at 21 days (p < 0.05). N-pal and D-pal groups enhanced superoxide dismutase (SOD) and catalase (CAT) activities in the duodenum (21d); D-pal group increased SOD activity in the ileum (42d); all Pal groups decreased ileal jejunal mucosal ROS (21d) and MDA (42d) (p < 0.05). At 42 days, Pal supplementation downregulated oxidative stress (N-pal), oxidoreductase activity (D-pal), and H2O2 response (Zn-pal) pathways in jejunal mucosa. N-pal and D-pal groups upregulated ileal mucosal nuclear factor-erythroid 2-related factor-2 (Nrf2), heme oxygenase-1 (HO-1), and superoxide dismutase 1 expression, while Zn-pal group increased HO-1 expression (21d). D-pal and Zn-pal groups enhanced jejunal mucosal Nrf2 and HO-1 expression (21d). Pal improved the antioxidant capacity in broilers by activating the Nrf2-mediated pathway, upregulating antioxidant-related gene expression, particularly at 21 days. Both D-pal and Zn-pal demonstrated potent antioxidant efficacy, and they can improve growth performance by enhancing the animal’s antioxidant capacity. Full article
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13 pages, 1961 KB  
Article
Iron Oxide Nanoparticles for Photosynthetic Recovery in Iron-Deficient ‘Micro-Tom’ Tomato Plants
by João Pedro Sampaio Gama, Felipe Girotto Campos, Carla dos Santos Riccardi and Carmen Sílvia Fernandes Boaro
Environments 2025, 12(10), 346; https://doi.org/10.3390/environments12100346 - 26 Sep 2025
Abstract
In plant tissues, nanoparticles can stimulate the production of reactive oxygen species (ROS), which, in excess, cause cellular toxicity by damaging membranes, chloroplasts, and DNA. However, they can also activate antioxidant mechanisms, aiding metabolic recovery under oxidative stress. In agriculture, iron oxide (nFe) [...] Read more.
In plant tissues, nanoparticles can stimulate the production of reactive oxygen species (ROS), which, in excess, cause cellular toxicity by damaging membranes, chloroplasts, and DNA. However, they can also activate antioxidant mechanisms, aiding metabolic recovery under oxidative stress. In agriculture, iron oxide (nFe) nanoparticles stand out for their gradual release of the nutrient, preventing leaching and increasing productivity. This study aims to investigate whether iron oxide nanoparticles are effective alternatives for overcoming iron deficiencies, mitigating oxidative stress and restoring metabolic functions, while maintaining photosynthesis. The high H2O2 concentration observed in nFe 500 mg L−1 (nFe 500) suggests that Fe, after being transported by the nanoparticles to the leaves, may have acted as a cofactor for antioxidant enzymes involved in H2O2 decomposition, reducing malondialdehyde concentration (MDA). Maintaining low oxidative stress suggests that H2O2 may function not only as a stress indicator but also as a signaling molecule in intracellular processes. nFe 500 suggests the ability of plants to utilize released Fe2+/Fe3+, restoring photosynthetic function in iron-deficient plants. Full article
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20 pages, 5553 KB  
Article
Transmit Power Optimization for Intelligent Reflecting Surface-Assisted Coal Mine Wireless Communication Systems
by Yang Liu, Xiaoyue Li, Bin Wang and Yanhong Xu
IoT 2025, 6(4), 59; https://doi.org/10.3390/iot6040059 - 25 Sep 2025
Abstract
The adverse propagation environment in underground coal mine tunnels caused by enclosed spaces, rough surfaces, and dense scatterers severely degrades reliable wireless signal transmission, which further impedes the deployment of IoT applications such as gas monitors and personnel positioning terminals. However, the conventional [...] Read more.
The adverse propagation environment in underground coal mine tunnels caused by enclosed spaces, rough surfaces, and dense scatterers severely degrades reliable wireless signal transmission, which further impedes the deployment of IoT applications such as gas monitors and personnel positioning terminals. However, the conventional power enhancement solutions are infeasible for the underground coal mine scenario due to strict explosion-proof safety regulations and battery-powered IoT devices. To address this challenge, we propose singular value decomposition-based Lagrangian optimization (SVD-LOP) to minimize transmit power at the mining base station (MBS) for IRS-assisted coal mine wireless communication systems. In particular, we first establish a three-dimensional twin cluster geometry-based stochastic model (3D-TCGBSM) to accurately characterize the underground coal mine channel. On this basis, we formulate the MBS transmit power minimization problem constrained by user signal-to-noise ratio (SNR) target and IRS phase shifts. To solve this non-convex problem, we propose the SVD-LOP algorithm that performs SVD on the channel matrix to decouple the complex channel coupling and introduces the Lagrange multipliers. Furthermore, we develop a low-complexity successive convex approximation (LC-SCA) algorithm to reduce computational complexity, which constructs a convex approximation of the objective function based on a first-order Taylor expansion and enables suboptimal solutions. Simulation results demonstrate that the proposed SVD-LOP and LC-SCA algorithms achieve transmit power peaks of 20.8dBm and 21.4dBm, respectively, which are slightly lower than the 21.8dBm observed for the SDR algorithm. It is evident that these algorithms remain well below the explosion-proof safety threshold, which achieves significant power reduction. However, computational complexity analysis reveals that the proposed SVD-LOP and LC-SCA algorithms achieve O(N3) and O(N2) respectively, which offers substantial reductions compared to the SDR algorithm’s O(N7). Moreover, both proposed algorithms exhibit robust convergence across varying user SNR targets while maintaining stable performance gains under different tunnel roughness scenarios. Full article
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25 pages, 1346 KB  
Article
Impact of Monoculture and Various Ratios of Intercropped Oats and Daikon Radish Cover Crops on Soil Properties, Weed Suppression, and Spinach Yield
by Fatemeh Ahmadnia, Ali Ebadi, Mohammad Taghi Alebrahim and Masoud Hashemi
Agriculture 2025, 15(19), 2002; https://doi.org/10.3390/agriculture15192002 - 25 Sep 2025
Abstract
Optimizing seeding ratios in mixed cover crop species can maximize their ecological benefits, such as soil properties and weed suppression. A two-year field study assessed seven oat (O) and daikon radish (D) ratios (100:0 to 0:100) for their effects on soil quality, weed [...] Read more.
Optimizing seeding ratios in mixed cover crop species can maximize their ecological benefits, such as soil properties and weed suppression. A two-year field study assessed seven oat (O) and daikon radish (D) ratios (100:0 to 0:100) for their effects on soil quality, weed pressure, and subsequent spinach yield. Measured parameters included cover crop biomass, C:N ratio, land equivalence ratio (LER), soil organic carbon (SOC), microbial population, soil enzyme activities, bulk density, porosity, moisture, and water infiltration time. The impact of intercrop residues and two weeding strategies (hand weeding and no weeding) on weed pressure and spinach yield was also assessed. Oat monoculture produced the highest biomass (338.7 g m−2), while radish monoculture biomass was the lowest (256.1 g m−2). Yet the 30:70 (O:D) ratio contributed to the highest SOC (0.96). The C:N ratio of all intercropped combinations was below the critical threshold (25:1) that causes N immobilization, with oat monoculture having the highest value (23:1). The microbial population was highest with the 10:90 (O:D) ratio, with 12.8 × 10−4 most probable number per g−1 soil. While urease and dehydrogenase enzyme activities were not affected by intercrop ratios, β-glucosidase and alkaline phosphatase activities were up to 30% higher in daikon radish-dominated intercrops. Bulk density decreased by 31.7% in oat monoculture, whereas infiltration time was shortened in daikon radish monoculture by 41.7% (4.6 s). Weed suppression was strongest in oat monoculture and the 90:10 (O:D) intercropping, reducing weed populations by over 30%. Spinach yield was highest in oat monoculture with hand weeding (842.9 g m−2), with a 40.2% increase over weeding alone. Overall, daikon radish-dominated intercropping ratios were more effective in enhancing soil properties, whereas oat-dominated intercropping improved spinach yield, mainly due to slower decomposition, thus better suppressing weeds. Full article
(This article belongs to the Section Crop Production)
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13 pages, 3614 KB  
Article
Purification of DZ125 Superalloy Reverts Through Droplet Electron-Beam Melting and Centrifugal Directional Solidification
by Xuanjing Zhang, Xinqi Wang, Lei Gao, Yidong Wu, Jianing Xue and Xidong Hui
Metals 2025, 15(9), 982; https://doi.org/10.3390/met15090982 - 2 Sep 2025
Viewed by 494
Abstract
The effective removal of oxygen (O), nitrogen (N), sulfur (S), and oxide inclusions from superalloy reverts is crucial for enhancing service life and achieving cost efficiency. However, refining DZ125 superalloy presents particular challenges, as conventional processes prove ineffective against hafnium (Hf) oxides. This [...] Read more.
The effective removal of oxygen (O), nitrogen (N), sulfur (S), and oxide inclusions from superalloy reverts is crucial for enhancing service life and achieving cost efficiency. However, refining DZ125 superalloy presents particular challenges, as conventional processes prove ineffective against hafnium (Hf) oxides. This study introduces an innovative purification method combining droplet electron-beam melting (EBM) with centrifugal directional solidification. Through this advanced EBM technique, we successfully produced ultrapure DZ125 superalloy with nitrogen content reduced below 5 ppm and total O + N + S content below 10 ppm. Most significantly, the process nearly eliminated Hf oxides from the reverts, meeting the stringent purity standards for DZ125 superalloy. We conducted a comprehensive analysis of inclusion morphology and composition in three distinct regions: the top slag layer, final solidification zone, and interior section of the ingot processed at varying EBM power levels. Our findings reveal that MC-type carbides at the slag–crucible interface were formed. There are HfO2, TaC, and Al2O3 in the final solidification zone, with notable encapsulation of HfO2 particulates within Al2O3 particles; and few HfO2 and Al2O3 inclusions exist in the ingot interior. It is also found that increasing EBM power from 36 kW to 46 kW significantly improved impurity removal efficiency, as evidenced by substantial reductions in both inclusion quantity and size. This enhanced purification stems from two primary mechanisms: (1) flotation of inclusions during EBM melting, facilitated by Marangoni convection, droplet stirring effects, and centrifugal forces generated by ingot rotation; and (2) decomposition of stable oxides enabled by the high-energy density characteristic of EBM and high-vacuum processing environment. This combined approach demonstrates superior capability in overcoming the limitations of traditional refining methods, particularly for challenging Hf oxide removal, while establishing an effective pathway for superalloy revert recycling. Full article
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19 pages, 1933 KB  
Article
Mixed-Ligand Copper(II) Complexes Derived from Pyridinecarbonitrile Precursors: Structural Features and Thermal Behavior
by Amalija Golobič, Matjaž Kristl, Tinkara Marija Podnar, Zvonko Jagličić and Brina Dojer
Inorganics 2025, 13(9), 287; https://doi.org/10.3390/inorganics13090287 - 27 Aug 2025
Viewed by 612
Abstract
Pyridinecarbonitriles (pyCN), also referred to as cyanopyridines, are promising ligands for the formation of pyridine-based coordination compounds due to their two different N-donor atoms, which enable versatile coordination modes. Copper(II) complexes containing pyCN derivatives are of particular interest for their potential applications in [...] Read more.
Pyridinecarbonitriles (pyCN), also referred to as cyanopyridines, are promising ligands for the formation of pyridine-based coordination compounds due to their two different N-donor atoms, which enable versatile coordination modes. Copper(II) complexes containing pyCN derivatives are of particular interest for their potential applications in medicinal chemistry and materials science. In this study, the synthesis, structural characterization, and thermal and magnetic properties of three new copper(II) complexes with 3-pyCN, 4-pyCN, and ethyl picolinimidate, obtained in situ by means of alcoholysis of 2-pyCN, are reported: [Cu2(μ-Ac)4(3-pyCN)2] (1), [Cu(H2O)2(Etpic)2]NO3 (2), and [Cu(NO3)2(CH3CN)(4-pyCN)2]·CH3CN (3). Single-crystal X-ray diffraction confirmed that complex 1 features a dinuclear paddle-wheel structure with bridging acetato ligands and monodentate 3-pyCN molecules, coordinated through the ring nitrogen, while complexes 2 and 3 are mononuclear. Thermal analysis showed an intense and highly exothermic decomposition of complex 3, containing nitrate ligands. Magnetic measurements revealed strong antiferromagnetic coupling in the dinuclear complex 1, whereas complexes 2 and 3 displayed paramagnetic behavior with effective magnetic moments ranging from 1.8 μB to 2.0 μB, consistent with isolated Cu(II) centers. Full article
(This article belongs to the Section Coordination Chemistry)
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18 pages, 5372 KB  
Article
An IoT-Based System for Measuring Diurnal Gas Emissions of Laying Hens in Smart Poultry Farms
by Sejal Bhattad, Ahmed Abdelmoamen Ahmed, Ahmed A. A. Abdel-Wareth and Jayant Lohakare
AgriEngineering 2025, 7(8), 267; https://doi.org/10.3390/agriengineering7080267 - 21 Aug 2025
Viewed by 742
Abstract
It is critical to provide proper environmental conditions in poultry houses to maintain birds’ health, boost productivity, and improve the overall economic viability of the poultry industry. Among the myriad of environmental elements, indoor air quality has been a determining factor that directly [...] Read more.
It is critical to provide proper environmental conditions in poultry houses to maintain birds’ health, boost productivity, and improve the overall economic viability of the poultry industry. Among the myriad of environmental elements, indoor air quality has been a determining factor that directly affects poultry well-being. Elevated concentrations of harmful gases—in particular Carbon Dioxide (CO2), Methane (CH4), and Ammonia (NH3)—decomposition products of poultry litter, feed wastage, and biological processes have draconian effects on bird health, feed efficiency, the growth rate, reproduction efficiency, and mortality rate. Despite their importance, traditional air quality monitoring systems are often operated manually, labor intensive, and cannot detect sudden environmental changes due to the lack of real-time sensing. To overcome these limitations, this paper presents an interdisciplinary approach combining cloud computing, Artificial Intelligence (AI), and Internet of Things (IoT) technologies to measure real-time poultry gas concentrations. Real-time sensor feeds are transmitted to a cloud-based platform, which stores, displays, and processes the data. Furthermore, a machine learning (ML) model was trained using historical sensory data to predict the next-day gas emission levels. A web-based platform has been developed to enable convenient user interaction and display the gas sensory readings on an interactive dashboard. Also, the developed system triggers automatic alerts when gas levels cross safe environmental thresholds. Experimental results of CO2 concentrations showed a significant diurnal trend, peaking in the afternoon, followed by the evening, and reaching their lowest levels in the morning. In particular, CO2 concentrations peaked at approximately 570 ppm during the afternoon, a value that was significantly elevated (p < 0.001) compared to those recorded in the evening (~560 ppm) and morning (~555 ppm). This finding indicates a distinct diurnal pattern in CO2 accumulation, with peak concentrations occurring during the warmer afternoon hours. Full article
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20 pages, 5917 KB  
Article
Montmorillonite and Composite Amino Acid Overcome the Challenges of Straw Return in Cold-Region Soil: Synergistic Mechanisms of Rapid Straw Humification and Carbon Sequestration
by Xingyan Chen, Tchoumtchoua Foka Joseline Galliane, Chongyang Zhao, Yanhui Feng and Mingtang Li
Agronomy 2025, 15(8), 1979; https://doi.org/10.3390/agronomy15081979 - 17 Aug 2025
Viewed by 566
Abstract
This study aimed to develop an effective method to overcome the challenge of straw return in cold-region soil. We systematically investigated the synergistic mechanism of montmorillonite (MMT) and composite amino acid (CAA) on straw humification and carbon sequestration through a low-temperature litterbag field [...] Read more.
This study aimed to develop an effective method to overcome the challenge of straw return in cold-region soil. We systematically investigated the synergistic mechanism of montmorillonite (MMT) and composite amino acid (CAA) on straw humification and carbon sequestration through a low-temperature litterbag field experiment. The results indicate that the combined treatment (MMT-CAA) significantly increased the decomposition rate of straw by 42.1% compared to the control (CK), with MMT showing particular efficacy in lignin degradation (28.3% reduction), while the CAA preferentially decomposed cellulose (19.7% reduction). An FTIR analysis of the decomposition products confirmed these findings. Water-soluble organic carbon (WEOC) and its three-dimensional fluorescence spectra exhibited a 25.0% increase in MMT-CAA and enhanced aromaticity of humic acid-like substances. Humic substances and their 13C-NMR revealed that MMT-CAA enhanced humic acid formation and molecular stability by 31.4% (with a 47.8% increase in aromaticity). A further redundancy analysis and symbiotic network of microorganisms demonstrated that MMT-CAA increased the abundance of lignocellulose-degrading phyla (Actinomycetes and Stramenomycetes) and the formation of a complex co-degradation network. Field corn planting trials indicated that MMT-CAA increased plant height by 55.1%, stem thickness by 58.7%, leaf area by 70.2%, and the SPAD value by 41.1%. Additionally, MMT significantly reduced CO2 and N2O emission fluxes by 35.6% and 15.8%, respectively, while MMT-CAA increased CH4 uptake fluxes by 13.4%. This study presents an innovative strategy, providing mechanistic insights and practical solutions to synergistically address the challenges of slow straw decomposition and carbon loss in cold regions. Full article
(This article belongs to the Section Agroecology Innovation: Achieving System Resilience)
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21 pages, 1980 KB  
Article
Organic Manure with Chemical Fertilizers Improves Rice Productivity and Decreases N2O Emissions by Increasing Soil Nitrogen Sequestration
by Yiren Liu, Jingshang Xiao, Xianjin Lan, Jianhua Ji, Hongqian Hou, Liumeng Chen and Zhenzhen Lv
Agronomy 2025, 15(8), 1783; https://doi.org/10.3390/agronomy15081783 - 24 Jul 2025
Viewed by 570
Abstract
Soil organic nitrogen (SON) positively influences crop productivity, greenhouse gas (GHG) emissions, and sustained nitrogen (N) supply. Herein, we observed the effect of different treatments; no fertilizers (CK), chemical fertilizers (nitrogen, phosphorus, and potassium (NPK)), organic manure, and NPK + OM (NPKOM). This [...] Read more.
Soil organic nitrogen (SON) positively influences crop productivity, greenhouse gas (GHG) emissions, and sustained nitrogen (N) supply. Herein, we observed the effect of different treatments; no fertilizers (CK), chemical fertilizers (nitrogen, phosphorus, and potassium (NPK)), organic manure, and NPK + OM (NPKOM). This study was performed in a randomized complete block design (RCBD) with three replications. The results indicated that NPKOM treatment significantly decreased the nitrous oxide (N2O) emissions by 19.97% and 17.47% compared to NPK in both years. This was linked with improved soil nutrient availability, soil organic carbon, soil organic nitrogen (SON) storage (10.06% and 12.38%), SON sequestration (150% and 140%), increased soil particulate (44.11% and 44%), and mineral-associated organic N (26.98% and 26.47%) availability. Furthermore, NPKOM also enhanced nitrate reductase (NR: 130% and 112%), glutamine synthetase (GS: 93% and 88%), sucrose phosphate synthase (SPS: 79% and 98%), SSs (synthetic direction; 57% and 50%), and decreased SSs activity in the decomposition direction (18% and 21%). This, in turn, inhibited the decomposition of sucrase and enhanced starch conversion into carbohydrates, thus leading to an increase in rice yield and a decrease in N2O emissions. All fertilizations, particularly NPKOM, significantly enhanced grain protein contents by increasing N uptake and its availability. Therefore, NPKOM is an effective practice to enhance rice productivity, and SON sequestration and mitigate the N2O emissions and subsequent climate change. Full article
(This article belongs to the Section Soil and Plant Nutrition)
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20 pages, 5939 KB  
Article
Mechanistic Insights into the Hot-Spot Formation and Pyrolysis of LLM-105 with Different Void Defects: A ReaxFF Molecular Dynamics Study
by Mengyun Mei, Zijian Sun, Lixin Ye and Weihua Zhu
Molecules 2025, 30(14), 3016; https://doi.org/10.3390/molecules30143016 - 18 Jul 2025
Viewed by 568
Abstract
To investigate the influences of void defects of different sizes, molecular dynamics combined with ReaxFF-lg reactive force field was used to study the hot-spot formation mechanism and thermal decomposition behavior of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) crystals with different void defects at 2500 K. The results [...] Read more.
To investigate the influences of void defects of different sizes, molecular dynamics combined with ReaxFF-lg reactive force field was used to study the hot-spot formation mechanism and thermal decomposition behavior of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) crystals with different void defects at 2500 K. The results indicate that larger void defects are more conducive to the formation of hot-spots. The consistency of the trends in time evolution of the potential energy, species numbers, and small molecules amounts between the ideal and void-containing LLM-105 crystals demonstrates that the presence of the void defect does not alter the decomposition mechanism of the LLM-105 molecule. An increase in the size of the void defect significantly increases the degree of diffusion of the C, H, O, and N atoms in the crystals, which affects the effective collisions between the atoms and thus alters the occurrence frequency of relevant reactions and the production of relevant products. Full article
(This article belongs to the Section Physical Chemistry)
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15 pages, 4430 KB  
Article
Synthesis, Characterization, and Properties of Novel Coplanar Bicyclic Compounds Based on Triazolofurazane Compounds
by Mei-Qi Xu, Wen-Shuai Dong, Qamar-un-Nisa Tariq, Chao Zhang, Cong Li, Zu-Jia Lu, Bin-Shan Zhao, Qi-Yao Yu and Jian-Guo Zhang
Molecules 2025, 30(13), 2803; https://doi.org/10.3390/molecules30132803 - 29 Jun 2025
Viewed by 470
Abstract
In this study, a C-C bond-linked triazole-fused oxadiazole energetic compound, 4-amino-5-(4-amino-1,2,5-oxadiazol-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one (1), was successfully designed and efficiently synthesized. Following nitration, a functional group-modified nitramine energetic compound (2) was obtained, and its energetic ionic salt (3) [...] Read more.
In this study, a C-C bond-linked triazole-fused oxadiazole energetic compound, 4-amino-5-(4-amino-1,2,5-oxadiazol-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one (1), was successfully designed and efficiently synthesized. Following nitration, a functional group-modified nitramine energetic compound (2) was obtained, and its energetic ionic salt (3) was further prepared. A comprehensive characterization of the structures of these three compounds was conducted, resulting in the successful elucidation of the single-crystal structures of compound 2·Ca2+·6H2O and compound 3·MeOH. Compound 2 exhibited a positive formation enthalpy (56.2 kJ·mol−1) and moderate mechanical sensitivity (FS = 120 N, IS = 12 J). Due to the presence of the nitramine group, compound 2 exhibited a relatively low thermal decomposition temperature (Tdec = 94 °C). However, the thermal stability of compound 3 was significantly improved (Tdec = 233 °C), which is attributed to salt formation. Compound 3 exhibits a positive formation enthalpy (121.0 kJ·mol−1), along with excellent detonation performance (D = 8120 m·s−1, P = 32.1 GPa) and reduced mechanical sensitivity (FS = 224 N, IS = 24 J). Therefore, the multi-heterocyclic compound, joined via C-C bond linkage, demonstrates outstanding performance, offering a new avenue for the design and synthesis of energetic materials. Full article
(This article belongs to the Section Applied Chemistry)
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18 pages, 3168 KB  
Article
Ammonium-Generating Microbial Consortia in Paddy Soil Revealed by DNA-Stable Isotope Probing and Metatranscriptomics
by Chao-Nan Wang, Yoko Masuda and Keishi Senoo
Microorganisms 2025, 13(7), 1448; https://doi.org/10.3390/microorganisms13071448 - 21 Jun 2025
Viewed by 735
Abstract
Rice paddy fields are sustainable agricultural systems as soil microorganisms help maintain nitrogen fertility through generating ammonium. In these soils, dissimilatory nitrate reduction to ammonium (DNRA), nitrogen fixation, and denitrification are closely linked. DNRA and denitrification share the same initial steps and nitrogen [...] Read more.
Rice paddy fields are sustainable agricultural systems as soil microorganisms help maintain nitrogen fertility through generating ammonium. In these soils, dissimilatory nitrate reduction to ammonium (DNRA), nitrogen fixation, and denitrification are closely linked. DNRA and denitrification share the same initial steps and nitrogen gas, the end product of denitrification, can serve as a substrate for nitrogen fixation. However, the microorganisms responsible for these three reductive nitrogen transformations, particularly those focused on ammonium generation, have not been comprehensively characterized. In this study, we used stable isotope probing with 15NO3, 15N2O, and 15N2, combined with 16S rRNA high-throughput sequencing and metatranscriptomics, to identify ammonium-generating microbial consortia in paddy soils. Our results revealed that several bacterial families actively contribute to ammonium generation under different nitrogen substrate conditions. Specifically, Geobacteraceae (N2O and +N2), Bacillaceae (+NO3 and +N2), Rhodocyclaceae (+N2O and +N2), Anaeromyxobacteraceae (+NO3 and +N2O), and Clostridiaceae (+NO3 and +N2) were involved. Many of these bacteria participate in key ecological processes typical of paddy environments, including iron or sulfate reduction and rice straw decomposition. This study revealed the ammonium-generating microbial consortia in paddy soil that contain several key bacterial drivers of multiple reductive nitrogen transformations and suggested their diverse functions in paddy soil metabolism. Full article
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Article
Thermal Interaction Mechanisms of Ammonium Perchlorate and Ammonia Borane
by Yunlong Zhang, Rui Pu, Shaoli Chen and Qilong Yan
Molecules 2025, 30(13), 2680; https://doi.org/10.3390/molecules30132680 - 20 Jun 2025
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Abstract
Ammonia borane (AB), with a theoretical hydrogen content of 19.6 wt%, is constrained by its low crystalline density (0.758 g/cm3) and poor thermal stability (decomposing at 100 °C). In this study, AB/ammonium perchlorate (AP) composites were synthesized via freeze-drying at a [...] Read more.
Ammonia borane (AB), with a theoretical hydrogen content of 19.6 wt%, is constrained by its low crystalline density (0.758 g/cm3) and poor thermal stability (decomposing at 100 °C). In this study, AB/ammonium perchlorate (AP) composites were synthesized via freeze-drying at a 1:1 molar ratio. The integration of AP introduced intermolecular interactions that suppressed AB decomposition, increasing the onset temperature by 80 °C. Subsequent vacuum calcination at 100 °C for 2 h formed oxygen/fuel-integrated ammonium perchlorate borane (APB), which achieved decomposition temperatures exceeding 350 °C. The proposed mechanism involved AB decomposing into borazine and BN polymers at 100 °C, which then NH3BH2+/ClO4 combined to form APB. At 350 °C, APB underwent the following redox reactions: 4NH3BH2ClO4 → N2↑ + 4HCl↑ + 2B2O3 + N2O↑ + O2↑ + 7H2O↑ + H2↑, while residual AP decomposed. The composite exhibited improved density (1.66 g/cm3) and generated H2, N2, O2, and HCl, demonstrating potential for hydrogen storage. Additionally, safety was enhanced by the suppression of AB’s exothermic decomposition (100–200 °C). APB, with its high energy density and thermal stability, was identified as a promising high-energy additive for high-burning-rate propellants. Full article
(This article belongs to the Special Issue Molecular Design and Synthesis of Novel Energetic Compounds)
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