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Search Results (822)

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21 pages, 5449 KiB  
Article
Comparisons of the Effects of Polymer and Alcohol Varnishes on Norway Spruce Wood Surface Modifications
by Mariana Domnica Stanciu, Maria Cristina Timar, Mircea Mihalcica, Mihaela Cosnita and Florin Dinulică
Polymers 2025, 17(15), 2131; https://doi.org/10.3390/polym17152131 - 1 Aug 2025
Viewed by 306
Abstract
Spruce wood is a natural polymeric material, consisting of cellulose, lignin, hemicelluloses and other secondary components, which gives it a unique chemical footprint and architecture. Varnishes are used in musical instruments to protect the wood against humidity variations, wood being a hygroscopic material, [...] Read more.
Spruce wood is a natural polymeric material, consisting of cellulose, lignin, hemicelluloses and other secondary components, which gives it a unique chemical footprint and architecture. Varnishes are used in musical instruments to protect the wood against humidity variations, wood being a hygroscopic material, but also to protect the wood from dirt. The varnishes used both to protect the wood from resonance and to ensure a special aesthetic appearance are either polymeric varnishes (nitrocellulose, oil-based) or volatile solvents (spirit). In this study, the color changes, the surface morphology and the chemical spectrum produced by three types of varnishes, applied in 5, 10 and 15 layers, on resonance spruce plates were analyzed. The results revealed significant changes in the color parameters: the lightness decreased by approximately 17% after the first layer, by 50% after 5 layers, by 65% after 10 layers and by 70% after 15 layers. The color parameters are most influenced by the anatomical quality of spruce wood (annual ring width and earlywood/latewood ratio) in the case of oil-based varnishes and least influenced in the case of nitrocellulose varnishes. The chemical fingerprint was determined by FTIR spectrum analysis, which revealed that the most pronounced absorptions were the double band 2926–2858 cm−1, corresponding to aliphatic methylene and methyl groups (asymmetric and symmetrical C-H stretch), and the bands at 1724 cm−1 (oil-based varnish), 1722 cm−1 (nitrocellulose varnish) and 1708 cm−1 (spirit varnish), all assigned to non-conjugated carbonyl groups in either carboxylic acids, esters aldehydes or ketones. The novelty of the study lies in the comparative analysis of three types of varnishes used in the musical instrument industry, applied to samples of spruce resonance wood with different macroscopic characteristics in three different layer thicknesses. Full article
(This article belongs to the Special Issue Advances in Wood Based Composites, 2nd Edition)
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15 pages, 792 KiB  
Article
Koffka Ring Perception in Digital Environments with Brightness Modulation
by Mile Matijević, Željko Bosančić and Martina Hajdek
Appl. Sci. 2025, 15(15), 8501; https://doi.org/10.3390/app15158501 (registering DOI) - 31 Jul 2025
Viewed by 134
Abstract
Various parameters and observation conditions contribute to the emergence of color. This phenomenon poses a challenge in modern visual communication systems, which are continuously being enhanced through new insights gained from research into specific psychophysical effects. One such effect is the psychophysical phenomenon [...] Read more.
Various parameters and observation conditions contribute to the emergence of color. This phenomenon poses a challenge in modern visual communication systems, which are continuously being enhanced through new insights gained from research into specific psychophysical effects. One such effect is the psychophysical phenomenon of simultaneous contrast. Nearly 90 years ago, Kurt Koffka described one of the earliest illusions related to simultaneous contrast. This study examined the perception of gray tone variations in the Koffka ring against different background color combinations (red, blue, green) displayed on a computer screen. The intensity of the effect was measured using lightness difference ΔL00 across light-, medium-, and dark-gray tones. The results were analyzed using descriptive statistics, while statistically significant differences were determined using the Friedman ANOVA and post hoc Wilcox tests. The strongest visual effect was observed the for dark-gray tones of the Koffka ring on blue/green and red/green backgrounds, indicating that perceptual organization and spatial parameters influence the illusion’s magnitude. The findings suggest important implications for digital media design, where understanding these effects can help avoid unintended color tone distortions caused by simultaneous contrast. Full article
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23 pages, 14391 KiB  
Article
Design of All-Optical Ternary Inverter and Clocked SR Flip-Flop Based on Polarization Conversion and Rotation in Micro-Ring Resonator
by Madan Pal Singh, Jayanta Kumar Rakshit, Kyriakos E. Zoiros and Manjur Hossain
Photonics 2025, 12(8), 762; https://doi.org/10.3390/photonics12080762 - 29 Jul 2025
Viewed by 202
Abstract
In the present study, a polarization rotation switch (PRS)-based all-optical ternary inverter circuit and ternary clocked SR flip-flop (TCSR) are proposed and discussed. The present scheme is designed by the polarization rotation of light in a waveguide coupled with a micro-ring resonator (MRR). [...] Read more.
In the present study, a polarization rotation switch (PRS)-based all-optical ternary inverter circuit and ternary clocked SR flip-flop (TCSR) are proposed and discussed. The present scheme is designed by the polarization rotation of light in a waveguide coupled with a micro-ring resonator (MRR). The proposed scheme uses linear polarization-encoded light. Here, the ternary (radix = 3) logical states are expressed by the different polarized light. PRS-MRR explores the polarization-encoded methodology, which depends on polarization conversion from one state to another. All-optical ultrafast switching technology is employed to design the ternary NAND gate. We develop the ternary clocked SR flip-flop by employing the NAND gate; it produces a greater number of possible outputs as compared to the binary logic clocked SR flip-flop circuit. The performance of the proposed design is measured by the Jones parameter and Stokes parameter. The results of the polarization rotation-based ternary inverter and clocked SR flip-flop are realized using a pump–probe structure in the MRR. The numerical simulation results are confirmed by the well-known Jones vector (azimuth angle and ellipticity angle) and Stokes parameter (S1, S2, S3) using Ansys Lumerical Interconnect simulation software. Full article
(This article belongs to the Special Issue Advancements in Optical and Acoustic Signal Processing)
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16 pages, 2223 KiB  
Article
Plasmonic Sensing Design for Measuring the Na+/K+ Concentration in an Electrolyte Solution Based on the Simulation of Optical Principles
by Hongfu Chen, Shubin Yan, Yi Sun, Youbo Hu, Taiquan Wu and Yuntang Li
Photonics 2025, 12(8), 758; https://doi.org/10.3390/photonics12080758 - 28 Jul 2025
Viewed by 213
Abstract
Based on the theory of optical sensing, we propose a high-precision plasmonic refractive index nanosensor, which consists of a symmetric rectangular waveguide and a circular ring containing a rectangular cavity. The designed novel tunable micro-resonant circular cavity filter based on surface plasmon excitations [...] Read more.
Based on the theory of optical sensing, we propose a high-precision plasmonic refractive index nanosensor, which consists of a symmetric rectangular waveguide and a circular ring containing a rectangular cavity. The designed novel tunable micro-resonant circular cavity filter based on surface plasmon excitations is able to confine light to sub-wavelength dimensions. The data show that different geometrical factors have different effects on sensing, with the geometry of the rectangular cavity and the radius of the circular ring being the key factors affecting the Fano resonance. Furthermore, the resonance bifurcation enables the structure to achieve a tunable dual Fano resonance system. The structure was tuned to obtain optimal sensitivity (S) and figure of merit values up to 3066 nm/RIU and 78. The designed structure has excellent sensing performance with sensitivities of 0.4767 nm·(mg/dL1) and 0.6 nm·(mg/dL1) in detecting Na+ and K+ concentrations in the electrolyte solution, respectively, and can be easily achieved by the spectrometer. The wavelength accuracy of 0.001 nm can be easily achieved by a spectrum analyzer, which has a broad application prospect in the field of optical integration. Full article
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16 pages, 2823 KiB  
Article
Electronic Properties of Molybdenum Disulfide Rings-Based Chains Associated with Length and Bias
by Yang Shu, Jie Li, Rukai Liu and Junnan Guo
Coatings 2025, 15(7), 827; https://doi.org/10.3390/coatings15070827 - 16 Jul 2025
Viewed by 231
Abstract
Molybdenum disulfide is more attractive and valuable at the molecular level due to its unique structure and exceptional properties. Here, new-type MoS2-ring chains are constructed and theoretically investigated for relevant electronic properties influenced by the length of the chain and the [...] Read more.
Molybdenum disulfide is more attractive and valuable at the molecular level due to its unique structure and exceptional properties. Here, new-type MoS2-ring chains are constructed and theoretically investigated for relevant electronic properties influenced by the length of the chain and the bias. Different from traditional wires, our findings demonstrate that the conductance of such a new-type chain presents unusually non-exponential decay with the length of the chain, with a particularly anomalous length of seven rings, which shows stronger equilibrium conductance than a shorter four-ring chain. Multi-peaks of electron transmission and delocalized electronic states contribute such uniqueness. Mo atoms play a vital role in electron transport. Essentially, a narrower “HOMO-LUMO” (the two closest energy levels to the Fermi level of MoS2-ring chain) gap compensates for the lower device density of states of new-type molybdenum disulfide-ring chains. The usual electronic structure of a seven-ring chain is derived from its slightly arched structure and mainly originates from interference, which is the resonance occurring between the electrodes. Noticeably, the bias could greatly enhance conductance, which could reach 1000 times more than the equilibrium conductance. At a certain bias, the conductance of a seven-ring chain even exceeds the shortest one- or two-ring chain. Furthermore, the threshold voltage (at which the maximum conductance appears) gradually decreases with the length of the chain and eventually remains at 0.7 V. The valuable negative differential resistance (NDR) effect could be found in such a molecular chain, which becomes more obvious as the length rises until the seven-ring chain reaches the peak. Our findings shed light on the relations between electronic properties and the length of a new-type molybdenum disulfide-ring chain, and provide support for such new-type chains in applications of innovative low-power and controllable electronics. Full article
(This article belongs to the Special Issue Research in Laser Welding and Surface Treatment Technology)
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14 pages, 2265 KiB  
Article
Octahedral Paclobutrazol–Zinc Complex for Enhanced Chemical Topping Efficacy in Mechanized Cotton Production: A Two-Year Field Evaluation in Xinjiang
by Jincheng Shen, Sumei Wan, Guodong Chen, Jianwei Zhang, Chen Liu, Junke Wu, Yong Li, Jie Liu, Shuren Liu, Baojiu Zhang, Meng Lu and Hongqiang Dong
Agronomy 2025, 15(7), 1659; https://doi.org/10.3390/agronomy15071659 - 8 Jul 2025
Viewed by 494
Abstract
Topping is an essential step in cotton cultivation in Xinjiang, China, which can effectively increase the number of bolls per plant and optimize the yield and quality. Paclobutrazol, as a common chemical topping agent for cotton, faces challenges such as unstable topping effect [...] Read more.
Topping is an essential step in cotton cultivation in Xinjiang, China, which can effectively increase the number of bolls per plant and optimize the yield and quality. Paclobutrazol, as a common chemical topping agent for cotton, faces challenges such as unstable topping effect and limited leaf surface absorption during application. In this study, paclobutrazol was used as the ligand and a zinc complex was synthesized by the thermosolvent method to replace paclobutrazol and improve the topping effect on cotton. The structure of the complex was characterized using FTIR, UV-vis, TG, and XRD analyses. The results confirmed that each zinc ion coordinated with four nitrogen atoms from the triazole rings of paclobutrazol and two oxygen atoms from nitrate ions, forming an octahedral geometry. Surface tension measurement and analysis revealed that the complex had a surface tension reduction of 12.75 mN/m compared to paclobutrazol, thereby enhancing the surface activity of the complex in water systems and improving its absorption efficiency on plant leaves. Two-year field trials indicated that the foliar application of the complex at a dosage of 120 g·hm−2 in inhibiting cotton plant height was more stable to that of paclobutrazol or mepiquat chloride. It also shortened the length of fruiting branches, making the shape of cotton plants compact, thereby indirectly improving the ventilation and light penetration of the cotton field and the convenience of mechanical harvesting. Yield data showed that, compared with artificial topping, the complex at a dosage of 120 g·hm−2 treatment increased cotton yield by approximately 4.6%. Therefore, the paclobutrazol–zinc complex is a promising alternative to manual topping and have great application potential in future mechanized cotton production. Full article
(This article belongs to the Section Farming Sustainability)
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14 pages, 935 KiB  
Article
Plasmon-Driven Catalytic Inhibition of pATP Oxidation as a Mechanism for Indirect Fe²⁺ Detection on a SERS-Active Platform
by Alexandru-Milentie Hada, Mihail-Mihnea Moruz, Alexandru Holca, Simion Astilean, Marc Lamy de la Chapelle and Monica Focsan
Catalysts 2025, 15(7), 667; https://doi.org/10.3390/catal15070667 - 8 Jul 2025
Viewed by 523
Abstract
The detection of Fe2+ in environmental water sources is critical due to its biological relevance and potential toxicity at elevated levels. Herein, we report a plasmon-driven catalytic sensing nanoplatform based on p-aminothiophenol (pATP)-functionalized silver nanoparticles (AgNPs) for the selective and sensitive detection [...] Read more.
The detection of Fe2+ in environmental water sources is critical due to its biological relevance and potential toxicity at elevated levels. Herein, we report a plasmon-driven catalytic sensing nanoplatform based on p-aminothiophenol (pATP)-functionalized silver nanoparticles (AgNPs) for the selective and sensitive detection of Fe2+. The nanoplatform exploits the inhibition of the plasmon-driven catalytic conversion of pATP to 4,4-dimercaptoazobenzene (DMAB), monitored via surface-enhanced Raman scattering (SERS) spectroscopy. The catalytic efficiency was quantified by the intensity ratio between the formed DMAB-specific Raman band and the common aromatic ring vibration band of pATP and DMAB. This ratio decreased proportionally with increasing Fe2+ concentration over a range of 100 µM to 1.5 mM, with a calculated limit of detection of 39.7 µM. High selectivity was demonstrated against common metal ions, and excellent recovery rates (96.6–99.4%) were obtained in real water samples. Mechanistic insights, supported by chronopotentiometric measurements under light irradiation, revealed a competitive oxidation pathway in which Fe2+ preferentially consumes plasmon-generated hot holes over pATP. This mechanism clarifies the observed catalytic inhibition and supports the design of redox-responsive SERS sensors. The platform offers a rapid, low-cost, and portable solution for Fe2+ monitoring and holds promise for broader applications in detecting other redox-active analytes in complex environmental matrices. Full article
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24 pages, 4677 KiB  
Article
Dysregulation of Arachidonic Acid Metabolism Drives Inflammatory Lipid Production in Localized Provoked Vulvodynia
by Sarah A. Fischer, Oluwademilade Oladele, Zahra Mahamed, Emanuelle Chrysilla, Anna Baumer, Tamari Bekauri, Krishna Rao Maddipati, Tanzy Love, Mitchell Linder and Megan Falsetta
Nutrients 2025, 17(13), 2233; https://doi.org/10.3390/nu17132233 - 5 Jul 2025
Cited by 1 | Viewed by 473
Abstract
Background/Objectives: Localized provoked vulvodynia (LPV) is characterized by chronic vulvar pain upon light touch to the vestibule, a specialized ring of tissue immediately surrounding the vaginal opening. LPV affects about 14 million people in the US, yet the etiopathology of the disease [...] Read more.
Background/Objectives: Localized provoked vulvodynia (LPV) is characterized by chronic vulvar pain upon light touch to the vestibule, a specialized ring of tissue immediately surrounding the vaginal opening. LPV affects about 14 million people in the US, yet the etiopathology of the disease is unknown. In LPV, the vestibule expresses elevated levels of the pro-nociceptive pro-inflammatory mediators prostaglandin E2 (PGE2) and interleukin-6 (IL-6), which corresponds to lower pain thresholds. Previous studies have shown reduced amounts of arachidonic acid (AA)-derived pro-resolving lipid mediators in tissue biopsies from LPV patients that might impede the resolution of inflammation. AA is obtained from dietary linoleic acid, pointing to a defect in the metabolism of dietary polyunsaturated fatty acids in LPV. We aimed to further explore the involvement of AA metabolism in LPV, which appears dysregulated in the vestibule of LPV patients and culminates in chronic inflammation and chronic pain. Methods: Vestibular and vulvar tissue biopsies obtained from LPV and non-LPV patients were used to generate fibroblast strains and assessed for COX/LOX expression using qRT-PCR. Fibroblast strains were treated with inflammatory stimuli, and then COX-1 and COX-2 expression was assessed using Western blot analysis. Pro-inflammatory mediator production was assessed using enzyme-linked immunosorbent assays (ELISAs). ALOX5 and ALOX12 expression was assessed using qRT-PCR. Finally, lipidomic analysis was carried out to screen for 143 lipid metabolites following inflammatory challenge. Results: Tissue and fibroblasts from LPV patients exhibited altered expression of COX/LOX enzymes and production of AA-derived lipid mediators compared to non-LPV patients. Conclusions: Lipid profiles of tissue and vestibular fibroblasts from LPV patients differed from non-LPV patients, and this difference was attributed to differential COX/LOX expression and activity, which metabolizes AA derived from dietary linoleic acid. This dysregulation fosters chronic inflammation and reduced resolution capacity in LPV patients, causing chronic pain. While further work is needed, these findings suggest that dietary modifications could impact the LPV mechanism. Full article
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11 pages, 1841 KiB  
Article
Construction of Silane-Modified Diatomite-Magnetic Nanocomposite Superhydrophobic Coatings Using Multi-Scale Composite Principle
by Dan Li, Mei Wu, Rongjun Xia, Jiwen Hu and Fangzhi Huang
Coatings 2025, 15(7), 786; https://doi.org/10.3390/coatings15070786 - 3 Jul 2025
Viewed by 419
Abstract
To address the challenges of cotton cellulose materials being susceptible to environmental humidity and pollutant erosion, a strategy for constructing superhydrophobic functional coatings with biomimetic micro–nano composite structures was proposed. Through surface silanization modification, diatomite (DEM) and Fe3O4 nanoparticles were [...] Read more.
To address the challenges of cotton cellulose materials being susceptible to environmental humidity and pollutant erosion, a strategy for constructing superhydrophobic functional coatings with biomimetic micro–nano composite structures was proposed. Through surface silanization modification, diatomite (DEM) and Fe3O4 nanoparticles were functionalized with octyltriethoxysilane (OTS) to prepare superhydrophobic diatomite flakes (ODEM) and OFe3O4 nanoparticles. Following the multi-scale composite principle, ODEM and OFe3O4 nanoparticles were blended and crosslinked via the hydroxyl-initiated ring-opening polymerization of epoxy resin (EP), resulting in an EP/ODEM@OFe3O4 composite coating with hierarchical roughness. Microstructural characterization revealed that the micrometer-scale porous structure of ODEM and the nanoscale protrusions of OFe3O4 form a hierarchical micro–nano topography. The special topography combined with the low surface energy property leads to a contact angle of 158°. Additionally, the narrow bandgap semiconductor characteristic of OFe3O4 induces the localized surface plasmon resonance effect. This enables the coating to attain 80% light absorption across the 350–2500 nm spectrum, and rapidly heat to 45.8 °C within 60 s under 0.5 sun, thereby demonstrating excellent deicing performance. This work provides a theoretical foundation for developing environmentally tolerant superhydrophobic photothermal coatings, which exhibit significant application potential in the field of anti-icing and anti-fouling. Full article
(This article belongs to the Section Corrosion, Wear and Erosion)
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29 pages, 6937 KiB  
Article
Dual-Dimensional Management for Human–Environment Coordination in Lake-Ring Urban Agglomerations: A Spatiotemporal Interaction Perspective of Human Footprint and Ecological Quality
by Suwen Xiong and Fan Yang
Appl. Sci. 2025, 15(13), 7444; https://doi.org/10.3390/app15137444 - 2 Jul 2025
Viewed by 328
Abstract
As human activities increasingly encroach on ecologically sensitive lake zones, China’s lake-ring urban agglomerations struggle to balance the intensifying human footprint (HF) and declining habitat quality (EQ). Addressing the spatiotemporal interactions between HF and EQ is essential for achieving human–environment coordination. This study [...] Read more.
As human activities increasingly encroach on ecologically sensitive lake zones, China’s lake-ring urban agglomerations struggle to balance the intensifying human footprint (HF) and declining habitat quality (EQ). Addressing the spatiotemporal interactions between HF and EQ is essential for achieving human–environment coordination. This study examined five major freshwater lake-ring urban agglomerations in China during the period from 2000 to 2020 and developed an HF–EQ assessment framework. First, the coupling coordination degree (CCD) model quantified the spatiotemporal coupling between HF and EQ. Second, GeoDetector identified how HF and EQ interact to influence CCD. Finally, the four-quadrant static model and CCD change rate index formed a dual-dimensional management framework. The results indicate that the spatiotemporal evolution patterns of HF and EQ are highly complementary, exhibiting a significant coupling interaction. High-CCD zones expanded from lakeside urban areas and transport corridors, while low-CCD zones remained in remote, forested areas. HF factors such as GDP, land use intensity, and nighttime lights dominated CCD dynamics, while EQ-related factors showed increasing interaction effects. Five human–environment coordination zones were identified based on the static and dynamic characteristics of HF and EQ. Synergy efficiency zones had the highest coordination with diverse land use. Ecological conservation potential zones were found in low-disturbance hilly regions. Synergy restoration zones were concentrated in croplands and urban–rural fringe areas. Imbalance regulation zones were in forest areas under development pressure. Conflict alert zones were concentrated in urban cores, transport corridors, and lakeshore belts. These findings offer insights for global human–environment coordination in lake regions. Full article
(This article belongs to the Section Environmental Sciences)
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33 pages, 1513 KiB  
Article
Azirinyl-Substituted Nitrile Oxides: Generation and Use in the Synthesis of Isoxazole Containing Heterocyclic Hybrids
by Alexander S. Dudik, Timur O. Zanakhov, Ekaterina E. Galenko, Mikhail S. Novikov and Alexander F. Khlebnikov
Molecules 2025, 30(13), 2834; https://doi.org/10.3390/molecules30132834 - 2 Jul 2025
Viewed by 597
Abstract
The procedure for the generation of azirinyl-substituted nitrile oxides by the reaction of 2-(diazoacetyl)-2H-azirines with tert-butyl nitrite while preserving the azirine ring has been developed. The [3+2] cycloaddition of azirinyl-substituted nitrile oxides to terminal acetylenes produced azirinyl(isoxazolyl)ketones with various substituents [...] Read more.
The procedure for the generation of azirinyl-substituted nitrile oxides by the reaction of 2-(diazoacetyl)-2H-azirines with tert-butyl nitrite while preserving the azirine ring has been developed. The [3+2] cycloaddition of azirinyl-substituted nitrile oxides to terminal acetylenes produced azirinyl(isoxazolyl)ketones with various substituents in position 3 of azirine and position 5 of isoxazole fragments in a 51–91% yield at room temperature in DCM. DFT calculations and experimental data are consistent with the assumption that the formation of azirinyl-substituted nitrile oxides is accelerated by the acid catalyst. Cycloadducts of nitrile oxides with aryl/hetarylacetylenes and DMAD can be obtained by catalysis with boron trifluoride etherate, which significantly expands the scope of application of the reaction. Expansion of the azirine ring of the prepared cycloadducts allows obtaining a wide range of structurally diverse functionalized isoxazole-containing heterocyclic hybrids. LED light induces isomerization of the azirinecarbonyl moiety of the azirinyl(isoxazolyl)ketones, resulting in the formation of a set of 3,5’-biisoxazoles in a 40–71% yield, while the catalytic reaction of the azirine moiety with 1,3-diketones opens the way to pyrrole- and isoxazole-containing hybrids. 2-(Isoxazole-3-ylcarbonyl)-3-arylazirines were also easily isomerized to 3-(oxazol-5-yl)isoxazoles in methanol in the presence of excess potassium carbonate at room temperature. Full article
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13 pages, 3099 KiB  
Article
Two-Dimensional Porous Beryllium Trinitride Monolayer as Multifunctional Energetic Material
by Jiaxin Jiang, Qifan Hu, Weiyi Wang and Hongyan Guo
Nanomaterials 2025, 15(13), 1004; https://doi.org/10.3390/nano15131004 - 29 Jun 2025
Viewed by 391
Abstract
Polynitrogen compounds have broad applications in the field of high-energy materials, making the exploration of two-dimensional polynitride materials with both novel properties and practical utility a highly attractive research challenge. Through global structure search methods and first-principles theoretical calculations at the Perdew–Burke–Ernzerhof (PBE) [...] Read more.
Polynitrogen compounds have broad applications in the field of high-energy materials, making the exploration of two-dimensional polynitride materials with both novel properties and practical utility a highly attractive research challenge. Through global structure search methods and first-principles theoretical calculations at the Perdew–Burke–Ernzerhof (PBE) level of density functional theory (DFT), the globally minimum-energy configuration of a novel planar BeN3 monolayer (tetr-2D-BeN3) is predicted. This material exhibits a planar quasi-isotropic structure containing pentagonal, hexagonal, and dodecagonal rings, as well as “S”-shaped N6 polymeric units, exhibiting a high energy density of 3.34 kJ·g−1, excellent lattice dynamic stability and thermal stability, an indirect bandgap of 2.66 eV (HSE06), high carrier mobility, and ultraviolet light absorption capacity. In terms of mechanical properties, it shows a low in-plane Young’s stiffness of 52.3–52.9 N·m−1 and a high in-plane Poisson’s ratio of 0.55–0.56, indicating superior flexibility. Furthermore, its porous structure endows it with remarkable selectivity for hydrogen (H2) and argon (Ar) gas separation, achieving a maximum selectivity of up to 1023 (He/Ar). Therefore, the tetr-2D-BeN3 monolayer represents a multifunctional two-dimensional polynitrogen-based energetic material with potential applications in energetic materials, flexible semiconductor devices, ductile materials, ultraviolet photodetectors, and other fields, thereby expanding the design possibilities for polynitride materials. Full article
(This article belongs to the Special Issue Theoretical Calculation Study of Nanomaterials: 2nd Edition)
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39 pages, 8474 KiB  
Article
Between Heritage Conservation and Forensic Science: An Analytical Study of Personal Items Found in Mass Graves of the Francoism (1939–1956) (Spain)
by María Teresa Doménech-Carbó, Trinidad Pasíes Oviedo, Ramón Canal Roca and Janire Múgica Mestanza
Molecules 2025, 30(13), 2783; https://doi.org/10.3390/molecules30132783 - 27 Jun 2025
Viewed by 315
Abstract
This article describes the case of the personal items found in common graves dated between 1939 and 1956 after the Spanish Civil War (1936–1939), located in Paterna’s cemetery (Spain). It was important in this study to know the state of the conservation of [...] Read more.
This article describes the case of the personal items found in common graves dated between 1939 and 1956 after the Spanish Civil War (1936–1939), located in Paterna’s cemetery (Spain). It was important in this study to know the state of the conservation of the objects and to obtain clues about their origin and use just as in a forensic study. This would allow the moral restitution of the historical memory of the victims of the war conflict. The multi-technique strategy has included light and electron microscopy, infrared spectroscopy and X-ray diffraction. Materials of the early 20th century used in pencil sharpeners, glasses, cutlery, lighters, rings, and buttons or medications contained in small bottles and boxes have been identified and have enabled the lives of their owners to be reconstructed during their imprisonment and execution. All these objects exhibited a thin layer of adipocere, a well-known compound in forensic science formed during the decomposition of human and animal corpses. Interestingly, rare corrosion processes have been identified in two of the objects analyzed, which are linked to their proximity to the decomposing corpses of the deceased. Copper sulfides and/or sulfates have been identified in the lighter, and scholzite, a zinc and calcium phosphate, has been identified in the glasses. Full article
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19 pages, 2636 KiB  
Article
Poly(pyridinium salt)s Containing 9,9-Bis(4-aminophenyl)fluorene Moieties with Various Organic Counterions Exhibiting Both Lyotropic Liquid-Crystalline and Light-Emitting Properties
by Pradip K. Bhowmik, David King, Haesook Han, András F. Wacha and Matti Knaapila
Polymers 2025, 17(13), 1785; https://doi.org/10.3390/polym17131785 - 27 Jun 2025
Viewed by 348
Abstract
Main-chain conjugated and non-conjugated polyelectrolytes are an important class of materials that have many technological applications ranging from fire-retardant materials to carbon-nanotube composites, nonlinear optical materials, electrochromic materials for smart windows, and optical sensors for biomolecules. Here, we describe a series of poly(pyridinium [...] Read more.
Main-chain conjugated and non-conjugated polyelectrolytes are an important class of materials that have many technological applications ranging from fire-retardant materials to carbon-nanotube composites, nonlinear optical materials, electrochromic materials for smart windows, and optical sensors for biomolecules. Here, we describe a series of poly(pyridinium salt)s-fluorene containing 9,9-bis(4-aminophenyl)fluorene moieties with various organic counterions that were synthesized using ring-transmutation polymerization and metathesis reactions, which are non-conjugated polyelectrolytes. Their chemical structures were characterized by Fourier transform infrared (FTIR), proton (1H) and fluorine 19 (19F) nuclear magnetic resonance (NMR) spectrometers, and elemental analysis. They exhibited polyelectrolytic behavior in dimethyl sulfoxide. Their lyotropic liquid-crystalline phases were examined by polarizing optical microscopy (POM) and small angle X-ray scattering (SAXS) studies. Their emission spectra exhibited a positive solvatochromism on changing the polarity of solvents. They emitted greenish-yellow lights in polar organic solvents. They formed aggregates in polar aprotic and protic solvents with the addition of water (v/v, 0–90%), whose λem peaks were blue shifted. Full article
(This article belongs to the Special Issue Smart Polymers for Stimuli-Responsive Devices)
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18 pages, 3043 KiB  
Article
Fe-Doped ZnS Quantum Dot Photocatalysts for the Degradation of Cefalexin in Water
by Sonia J. Bailon-Ruiz, Yarilyn Cedeño-Mattei and Luis Alamo-Nole
Micro 2025, 5(3), 31; https://doi.org/10.3390/micro5030031 - 22 Jun 2025
Viewed by 321
Abstract
This study reports the synthesis, structural characterization, adsorption studies, nanoscale interaction, and photocatalytic application of pure and Fe-doped ZnS quantum dots for the degradation of the antibiotic cefalexin in aqueous solution. Nanoparticles were synthesized via the microwave-assisted method, and Fe doping was introduced [...] Read more.
This study reports the synthesis, structural characterization, adsorption studies, nanoscale interaction, and photocatalytic application of pure and Fe-doped ZnS quantum dots for the degradation of the antibiotic cefalexin in aqueous solution. Nanoparticles were synthesized via the microwave-assisted method, and Fe doping was introduced at a 1% molar ratio. HRTEM images confirmed quasi-spherical morphology and high crystallinity, with particle sizes averaging 2.4 nm (pure) and 3.5 nm (doped). XRD analysis showed a consistent cubic ZnS structure. UV-vis spectra showed strong absorption at 316 nm for both samples, and PL measurements revealed emission quenching upon Fe doping. Photocatalytic tests under UV light demonstrated significantly higher degradation rates of 10 ppm cefalexin with Fe-doped ZnS, reaching near-complete removal within 90 min. Adsorption experiments revealed higher affinity and adsorption capacity of Fe-doped ZnS toward cefalexin compared to pure ZnS, as demonstrated by the Freundlich isotherm analyses, contributing significantly to enhanced photocatalytic degradation performance. High-resolution QTOF LC-MS analysis confirmed the breakdown of the β-lactam and thiazolidine rings of cefalexin and the formation of low-mass degradation products, including fragments at m/z 122.0371, 116.0937, and 318.2241. These findings provide strong evidence for the structural destruction of the antibiotic and validate the enhanced photocatalytic performance of Fe-doped ZnS. Full article
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