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19 pages, 2709 KB  
Article
Bimetallic Deep Eutectic Solvent-Driven Ce-Fe Oxide Nanozyme Based on Electron Transfer for the Colorimetric Detection of E. coli O157:H7 in Food
by Luyang Zhao, Yang Song, Guoyang Xie and Hengyi Xu
Foods 2026, 15(8), 1391; https://doi.org/10.3390/foods15081391 - 16 Apr 2026
Abstract
Sensitive detection of Escherichia coli O157:H7 (E. coli O157:H7) in food matrices remains an important analytical challenge. Here, a colorimetric biosensor was constructed based on a bimetal oxide nanozyme composed of Ce-Fe oxide. This biosensor achieved sensitive detection of E. coli O157:H7. [...] Read more.
Sensitive detection of Escherichia coli O157:H7 (E. coli O157:H7) in food matrices remains an important analytical challenge. Here, a colorimetric biosensor was constructed based on a bimetal oxide nanozyme composed of Ce-Fe oxide. This biosensor achieved sensitive detection of E. coli O157:H7. The Ce-Fe oxide synthesized on the basis of deep eutectic solvents (DESs) had the advantages of low solvent consumption and short preparation time. By regulating the two key factors of metal valence and oxygen vacancy content, the peroxidase (POD) activity of the nanozyme was significantly improved. Compared with the single-metal oxide nanozyme Fe oxide, the addition of Ce increased the Fe2+/Fe3+ ratio from 0.37 to 0.49, implying a possible enhancement of electron transfer between Fe2+ and Fe3+. The detection limits (LODs) of the biosensor based on Fe oxide and that based on Ce-Fe oxide were 102 CFU/mL and 101 CFU/mL, respectively, comparable to existing validated methods. Moreover, these two biosensors achieved satisfactory recovery rates (91–104%) and RSDs (1.2–8.8%) in the spiked lake water, juice, and lettuce samples of E. coli O157:H7, indicating their high potential for application in spiked sample detection. In summary, the method proposed in this study for improving the POD activity of nanozymes through electron transfer in DES solutions is beneficial to the development of metal oxide nanozymes. Full article
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16 pages, 8369 KB  
Article
Separation and Extraction of Rhenium from Waste Acid via Selective Precipitation and Atmospheric Pressure Leaching
by Hancheng Mao, Shengdong Wang, Muyao Lu, Haibei Wang and Denggao Zhang
Separations 2026, 13(4), 119; https://doi.org/10.3390/separations13040119 - 15 Apr 2026
Abstract
This study presents a combined process of sulfide precipitation followed by hydrogen peroxide leaching for rhenium recovery from copper smelting waste acid under ambient temperature and pressure. The process first removed copper through selective sulfide precipitation, then achieved co-precipitation of rhenium and arsenic [...] Read more.
This study presents a combined process of sulfide precipitation followed by hydrogen peroxide leaching for rhenium recovery from copper smelting waste acid under ambient temperature and pressure. The process first removed copper through selective sulfide precipitation, then achieved co-precipitation of rhenium and arsenic to obtain a rhenium-rich precipitate. Subsequently, exploration of rhenium-containing precipitate leaching using H2O2 solution was conducted under isothermal conditions at 20 °C. The effects of H2O2 concentration, liquid-to-solid ratio, acidity, and leaching time rhenium extraction efficiency were examined systematically. The optimal leaching conditions were determined as: H2O2 concentration of 150 g/L, liquid-to-solid ratio of 5:1 mL/g, stirring speed of 350 r/min, and leaching time of 30 min. Under these conditions, the leaching conversions of rhenium and arsenic reached 96.0% and 93.8%, respectively. Through characterization of precipitate and leaching residue using ICP, SEM-EDS, XRD, and XPS analyses, the process and related reactions were elucidated. Results demonstrated that low-valence rhenium oxides and sulfides serve as the main reactive species during H2O2 leaching, whereas organic sulfur, high-valence oxides, and copper sulfide remained stable and resistant to leaching. Selective precipitation of copper effectively eliminated insoluble metal sulfides from rhenium-containing precipitates, thereby enabling efficient separation of rhenium under mild conditions. Full article
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11 pages, 860 KB  
Article
Growth and Properties of Bi-Doped Terbium Iron Garnet Crystals Produced Using the Top-Seeded Solution Growth Method
by Tengbo Chen, Yuxi Yu, Haoran Gao, Ronggui Zhang, Zhong Luo and Shuyuan Zhao
Crystals 2026, 16(4), 264; https://doi.org/10.3390/cryst16040264 - 14 Apr 2026
Viewed by 104
Abstract
Bi-doped rare-earth iron garnet (Bi:RIG) single crystals are the core of optical isolators, and demand for them is surging due to the development of artificial intelligence (AI) technology. In this work, bismuth-doped terbium iron garnet (Bi:TbIG) single crystals with a composition of Bi [...] Read more.
Bi-doped rare-earth iron garnet (Bi:RIG) single crystals are the core of optical isolators, and demand for them is surging due to the development of artificial intelligence (AI) technology. In this work, bismuth-doped terbium iron garnet (Bi:TbIG) single crystals with a composition of Bi0.86Tb2.14Fe5O12 and a size of 37 mm were successfully grown by the top-seeded solution growth (TSSG) method using a lead-containing flux system. These crystals exhibited a regular rhombic dodecahedron morphology enclosed by the {110} plane, and a growth rate of 0.018 mm/h perpendicular to the {110} planes. Systematic characterizations revealed that the crystals exhibited good compositional homogeneity, with no obvious Fe, Tb and Bi segregation from center to edge. Rocking curve tests presented a full width at half maximum of 172 arcsec. X-ray photoelectron spectroscopy (XPS) results demonstrated that Fe exists exclusively in the +3 valence state without detectable Fe2+, whereas Tb is present in the +4 valence state. In addition, O was lattice O2−, without obvious defects. Magneto-optical tests indicated that the uncoated TSSG-grown Bi:TbIG crystals had 71% transmittance in the 1200~1600 nm waveband, and a Faraday rotation coefficient of 0.132°/μm at 1310 nm. The 11 × 11 mm samples exhibited an extinction ratio stably above 40 dB. The 349 μm thick samples meet the application requirements of miniaturized optical isolators. This study verifies the feasibility of TSSG for growing Bi:TbIG single crystals, offering a new technical route for Bi:TbIG growth with potential value for practical application. Full article
(This article belongs to the Section Inorganic Crystalline Materials)
20 pages, 350 KB  
Review
Vasopressin 1a Receptor Antagonists for Pathological Aggression in Neurodegenerative and Other CNS Diseases
by Neal G. Simon, Michael J. Brownstein, Karen E. Anderson, Shi-fang Lu and Hilda T. Maibach
Biomedicines 2026, 14(4), 889; https://doi.org/10.3390/biomedicines14040889 - 14 Apr 2026
Viewed by 318
Abstract
Background: Neurodegenerative diseases are a major health problem, and the neuropsychiatric symptoms seen in these diseases adversely impact the lives of patients, families, and caregivers. Inappropriate aggressive behavior is a highly disruptive symptom and a leading cause of institutionalization. There are no approved [...] Read more.
Background: Neurodegenerative diseases are a major health problem, and the neuropsychiatric symptoms seen in these diseases adversely impact the lives of patients, families, and caregivers. Inappropriate aggressive behavior is a highly disruptive symptom and a leading cause of institutionalization. There are no approved drugs specifically for the treatment of problematic aggression, and the off-label use of antipsychotics has limited benefit with significant side effects and safety risks. This review discusses dysregulated arginine vasopressin (AVP) signaling in fear–threat circuitry as a key driver of inappropriate aggression. Because the AVP 1a receptor (V1aR) is the dominant subtype in the CNS, the selective antagonism of this receptor represents a well-rationalized target for the treatment of aggression across neurodegenerative, psychiatric, and neurodevelopmental disorders. Objectives: Our goal was to summarize the basis for using V1aR antagonists as a treatment for irritability and aggressive behavior. We describe its discovery, biosynthesis, receptor pharmacology, and CNS distribution, emphasizing V1aR localization in central fear–threat circuits. Translational evidence from animal studies, pharmacological neuroimaging, and lesion network mapping is presented. These data support the suggestion that heightened vasopressinergic tone biases socioemotional information processing toward negative valence, increasing threat sensitivity and the likelihood of inappropriate aggressive responses. Emerging clinical data support this framework. Highly selective, CNS-penetrant V1aR antagonists reduced aggressive behavior and had an excellent safety profile in phase 2 studies in Huntington’s disease and intermittent explosive disorder, with efficacy signals across caregiver-reported, clinician-rated, and incident-based measures. Furthermore, pharmacological neuroimaging showed that V1aR antagonism normalizes AVP-induced alterations in activity within fear–threat circuitry. Conclusions and Future Directions: Preclinical, translational, and clinical findings to date support V1aR antagonism as a promising strategy for treating pathological aggression across disorders. Additional experimental medicine studies and clinical trials are needed to conclusively establish efficacy in various disease populations, and we note the need for improved trial designs and analytical methods as part of the development process. Full article
15 pages, 1420 KB  
Article
DC-MEPV: Dual-Channel Assisted Music Emotion Perception and Visualization in Acousto-Optic Synergistic Intelligent Cockpits
by Wei Shen, Xingang Mou, Songqing Le, Zhixing Zong and Jiaji Li
Appl. Sci. 2026, 16(8), 3800; https://doi.org/10.3390/app16083800 - 13 Apr 2026
Viewed by 214
Abstract
We propose a Dual-Channel assisted Music Emotion Perception and Visualization (DC-MEPV) framework designed for ambient lighting in intelligent vehicle cockpits, addressing the increasing demand for advanced human–machine interaction in the automotive industry. This framework consists of three main components: the Multi-Scale Feature Extraction [...] Read more.
We propose a Dual-Channel assisted Music Emotion Perception and Visualization (DC-MEPV) framework designed for ambient lighting in intelligent vehicle cockpits, addressing the increasing demand for advanced human–machine interaction in the automotive industry. This framework consists of three main components: the Multi-Scale Feature Extraction Block (MSFEB), the Global Sequence Modeling Block (GSMB), and the Emotional Color Visualization Algorithm (ECV-Algo). The MSFEB extracts valence and arousal (V-A) features from dual channels at multiple temporal scales, with each channel employing a hybrid neural network architecture to capture multi-scale emotional representations. The GSMB integrates positional encoding, bidirectional long short-term memory (BiLSTM) networks, and multi-head self-attention mechanisms to dynamically model global emotional sequences. The ECV algorithm utilizes personalized emotion–color association rules to achieve expressive emotion-driven lighting visualization based on a continuous mapping from emotion space to color space. We conducted comprehensive comparison and ablation experiments to evaluate the model’s emotion perception performance, and designed three metrics to evaluate the quality of the generated visualizations. The model outperformed other networks in both comparative and ablation experiments. Additionally, the generated lights demonstrated strong performance in terms of CIEDE2000 variation rates, unique color ratios, and joint histogram entropy. DC-MEPV achieved excellent performance in emotion perception and visualizations on the DEAM and PMEmo datasets. Full article
(This article belongs to the Section Electrical, Electronics and Communications Engineering)
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17 pages, 629 KB  
Article
A Hybrid Feature-Weighting and Resampling Model for Imbalanced Sentiment Analysis in User Game Reviews
by Thao-Trang Huynh-Cam, Long-Sheng Chen, Hsuan-Jung Huang and Hsiu-Chia Ko
Mathematics 2026, 14(8), 1273; https://doi.org/10.3390/math14081273 - 11 Apr 2026
Viewed by 164
Abstract
Sentiment analysis of online game reviews has increasingly become important in understanding player experiences and supporting data-driven game development. However, research in this domain has continuously faced two unresolved challenges: (1) the extreme imbalance between positive and negative feedback, and (2) the inefficiency [...] Read more.
Sentiment analysis of online game reviews has increasingly become important in understanding player experiences and supporting data-driven game development. However, research in this domain has continuously faced two unresolved challenges: (1) the extreme imbalance between positive and negative feedback, and (2) the inefficiency of existing feature-weighting schemes in capturing sentiment signals embedded in informal gaming discourses. Prior works demonstrated that negative feedback—though a few in number are highly influential—usually contain richer emotional content and longer textual structures; yet, prevailing classification models often perform poorly for these minorities (i.e., negative feedback). Numerous studies explored multimodal imbalance issues, class imbalance in cross-lingual ABSA (Aspect-Based Sentiment Analysis), reinforcement-learning-based architectures for imbalanced extraction tasks, and oversampling strategies like SMOTE (Synthetic Minority Over-sampling Technique) variants. Few investigations specifically addressed imbalanced sentiment classification in the contexts of online game reviews, where user-generated content exhibits unique lexical, structural, and emotional characteristics. To address these gaps, this study integrated TF-IDF (Term Frequency-Inverse Document Frequency), VADER (Valence Aware Dictionary and Sentiment Reasoner) lexicon features, and IGM (Inverse Gravity Moment) weightings with advanced oversampling methods such as ADASYN (Adaptive Synthetic Sampling Approach for Imbalanced Learning) and Borderline-SMOTE to improve the detection of minority sentiment classes. Ensemble models, including XGBoost (Extreme Gradient Boosting) and LightGBM (Light Gradient-Boosting Machine), were further employed to enhance the robustness of imbalance. Using a large-scale dataset of Steam game reviews, the proposed framework demonstrated substantial improvement in identifying negative sentiments, addressing a critical limitation in the existing computational game-analysis literature, and advancing the modeling for detecting the emotion-rich but imbalance-prone user feedback. Full article
14 pages, 4310 KB  
Article
A Novel Sc-Doped PrBaFe2O6-δ Cathode Enables High Performance for Proton Ceramic Fuel Cells
by Erxi Zhang, Jingxiong Liu, Yujia Nie, Wei Zhou, Feng Li and Peixin Xu
Inorganics 2026, 14(4), 107; https://doi.org/10.3390/inorganics14040107 - 10 Apr 2026
Viewed by 289
Abstract
To optimize the oxygen reduction reaction activity and long-term stability of the PrBaFe2O6-δ (PBF) cathode for protonic ceramic fuel cell (PCFC), this study employed the sol–gel method to dope Sc at the Fe-site of PBF, preparing a novel PrBaFe1.8 [...] Read more.
To optimize the oxygen reduction reaction activity and long-term stability of the PrBaFe2O6-δ (PBF) cathode for protonic ceramic fuel cell (PCFC), this study employed the sol–gel method to dope Sc at the Fe-site of PBF, preparing a novel PrBaFe1.8Sc0.2O6-δ (PBFS) cathode. The effects of different sintering temperatures on the phase composition, microstructure, and electrochemical performance of the PBFS cathode were systematically studied. Results showed that the PBFS cathode sintered at 1000 °C formed a single cubic perovskite structure, exhibiting excellent chemical compatibility with the electrolyte. Sc doping induced Fe in the cathode to exhibit a mixed valence state of Fe2+/Fe3+/Fe4+, thus significantly increasing the oxygen vacancy concentration. The single cell assembled achieved a peak power density of 1.303 W·cm−2 and a polarization resistance as low as 0.035 Ω·cm2 with H2 as the fuel at 700 °C. Moreover, after 100 h of long-term operation at 650 °C, the power density decayed by only 5.23%, thus demonstrating excellent long-term stability. This study offers an efficient cobalt-free cathode candidate for PCFC. Full article
(This article belongs to the Section Inorganic Materials)
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17 pages, 2236 KB  
Article
DFT Investigation of the Thermoelectric, Electronic, and Hydrogen Storage Properties of MgMH3 (M = Mn and Ni) Perovskites Using BoltzTrap
by Ayoub Koufi, Younes Ziat, Hamza Belkhanchi, Charaf Laghlimi, Noureddine Lakouari and Zakaryaa Zarhri
Physchem 2026, 6(2), 21; https://doi.org/10.3390/physchem6020021 - 6 Apr 2026
Viewed by 354
Abstract
This study provides a theoretical assessment of the structural, electronic, and thermal properties of MgMH3 (M = Mn and Ni) compounds using the full-potential linearized augmented plane wave (FP-LAPW) method, with a range of modern functionals. The thermoelectric [...] Read more.
This study provides a theoretical assessment of the structural, electronic, and thermal properties of MgMH3 (M = Mn and Ni) compounds using the full-potential linearized augmented plane wave (FP-LAPW) method, with a range of modern functionals. The thermoelectric properties that are surveyed here relate to the power factor, the dimensionless thermoelectric figure of merit, the thermal conductivity, and the electrical conductivity that are associated with these compounds. The study finds that MgNiH3 has superior thermoelectric properties compared to MgMnH3. The analysis of the band structure reveals that both materials conduct electricity like metals, as there is no energy gap (0 eV), indicating that the conduction and valence bands overlap. The thermal conductivity was found to be linearly related to an increase in temperature, whereas the electrical conductivity varied with temperature. At elevated temperatures, the maximum power factor values reach 1.45 × 10−3 W/(K2.m) for MgMnH3 and 1.96 × 10−3 W/(K2.m) for MgNiH3 at 900 K. Upon examination of the electronic states, the contributions to the metallic nature of these hydrides come largely from the Ni and Mn orbitals. This type of prospective information on the potential of MgNiH3 and MgMnH3 in industrial applications, especially thermoelectric applications, is a valuable contribution. Understanding their thermal and electronic structure will demonstrate their potential for industry. Full article
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24 pages, 3582 KB  
Article
High-Efficiency Thick-Film Organic Cells for Indoor Photovoltaics Printed in Air from Non-Halogenated Solvents
by Pavlo Perkhun, Anass Khodr, Yatzil Alejandra Avalos Quiroz, Aral Karahan, Hasan Alkhatib, Anil Kumar Bharwal, David Duché, Jean-Jacques Simon, Carmen M. Ruiz Herrero, Takeshi Watanabe, Hidehiro Sekimoto, Noriyuki Yoshimoto, Olivier Margeat, Christine Videlot-Ackermann and Jörg Ackermann
Energies 2026, 19(7), 1773; https://doi.org/10.3390/en19071773 - 3 Apr 2026
Viewed by 507
Abstract
Thick-film organic photovoltaics (OPVs) are key for scalable manufacturing, but increasing active-layer thickness usually lowers power conversion efficiency (PCE) due to charge recombination and limited carrier extraction. We report high-efficiency thick-film OPVs fully processed in air by doctor blading using non-halogenated solvents ( [...] Read more.
Thick-film organic photovoltaics (OPVs) are key for scalable manufacturing, but increasing active-layer thickness usually lowers power conversion efficiency (PCE) due to charge recombination and limited carrier extraction. We report high-efficiency thick-film OPVs fully processed in air by doctor blading using non-halogenated solvents (o-xylene with 3.5% tetralin) for two non-fullerene acceptor systems: PM6:ITIC-4F and PTQ-10:ITIC-4F. Active layers (100–500 nm) were fabricated by adjusting the coating speed while keeping the ink concentration and gap constant. Under mild drying (40 °C, 2 min), both systems exhibited significant efficiency losses at 1 sun (AM1.5G) as the thickness increased, whereas performance was largely preserved under indoor LED illumination (200 lx and 1000 lx), enabling high performance for thick films. Short thermal post-annealing (80–140 °C, 2 min) further improved PCE by reducing bimolecular recombination and enhancing nanostructure. Optimized PM6:ITIC-4F devices reached 10.2% (300 nm) under 1 sun and 14.78% at 200 lx; PTQ-10:ITIC-4F achieved 11.3% (500 nm) under 1 sun and up to 15.71% at 200 lx. Morphological and structural analysis indicates that the superior thick-film performance of PTQ-10:ITIC-4F is linked to favorable phase behavior, polymer-rich surface composition, and preferential face-on molecular orientation, promoting charge collection. These results demonstrate that low-cost PTQ-10 and non-halogenated air processing can enable industrially relevant, high-performance thick-film OPVs. Full article
(This article belongs to the Special Issue Advanced Technologies of Solar Cells: 2nd Edition)
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20 pages, 2265 KB  
Article
Explicit and Implicit Emotion Processing: The Role of Spatial Frequencies in a Case Study of Right Capsulo–Thalamic Damage
by Vincenza Tommasi, Caterina Padulo, Giulia Prete, Antonio Leo, Alessandra Franco, Tatiana De Francesco, Maria Rosaria Viva, Luca Tommasi, Giuliana Lucci and Chiara Valeria Marinelli
J. Intell. 2026, 14(4), 60; https://doi.org/10.3390/jintelligence14040060 - 3 Apr 2026
Viewed by 368
Abstract
This study examined the interaction between spatial frequencies and emotion processing using tachistoscopic presentations of emotional faces, in a patient with right capsulo–thalamic damage and a matched control group (N = 3). Emotional (happy, angry and sad) and neutral faces were presented in [...] Read more.
This study examined the interaction between spatial frequencies and emotion processing using tachistoscopic presentations of emotional faces, in a patient with right capsulo–thalamic damage and a matched control group (N = 3). Emotional (happy, angry and sad) and neutral faces were presented in one of two ways: broadband emotional images and hybrid faces, which were created by superimposing emotional Low Spatial Frequencies (LSFs) to the High Spatial Frequencies (HSFs) of the same identity with a neutral expression, resulting in a subliminal presentation of the emotional content. According to LeDoux’s dual-route model, which suggests a cortical–conscious emotional analysis and subcortical–unconscious emotional processing, we expected healthy participants to show different variations in friendliness ratings compared with the case study patient. In particular, we hypothesized that while healthy participants should show friendliness ratings varying consistently with the facial expressions for both unfiltered (conscious) and filtered (unconscious) stimuli, reflecting the efficiency of both routes, the patient should show a selective deficit in the unfiltered condition due to the disruption of the thalamo–cortical connections. The results showed that healthy controls evaluated emotions consistently across both conditions. Notably, there were no significant differences between the case study patient and the control group for hybrid faces, suggesting that the “hidden” LSF successfully activated the intact subcortical route. However, significant differences emerged for unfiltered stimuli: the case study patient was able to distinguish between positive and negative valence, but she failed to discriminate between negative emotions. This finding suggests that the fine-grained differentiation of negative emotions requires an intact cortical analysis, mediated by the internal capsule. Full article
(This article belongs to the Special Issue Social Cognition and Emotions)
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31 pages, 5297 KB  
Article
Putting Emotion on the Map: Comparing Methods at Fort Tourism Events
by Ondrej Mitas, Tamara Surla, Jelena Farkic, Ben Wielenga, Peter Ward and Alinda Kokkinou
Tour. Hosp. 2026, 7(4), 98; https://doi.org/10.3390/tourhosp7040098 - 2 Apr 2026
Viewed by 401
Abstract
Understanding and managing tourism event experiences requires insight into how emotions unfold across space. Drawing on constructed emotion theory, this study advanced both theoretical and methodological knowledge by comparing three spatial emotion mapping approaches. Namely, we applied experience reconstruction maps, emotion physiology maps, [...] Read more.
Understanding and managing tourism event experiences requires insight into how emotions unfold across space. Drawing on constructed emotion theory, this study advanced both theoretical and methodological knowledge by comparing three spatial emotion mapping approaches. Namely, we applied experience reconstruction maps, emotion physiology maps, and emotion effectiveness maps to visitor experiences of two events at nature-based fort settings in the Netherlands. Using intercept sampling (N = 98), we combined questionnaires with GPS tracking and skin conductance measurement to collect location-resolved emotional data. The resulting maps revealed markedly different spatial emotion patterns, reflecting distinct emotional components: physiological arousal and recalled or reconstructed emotional arousal and valence. Studies which map emotions have usually not accounted for within-individual autocorrelation. Our multilevel statistical models, in contrast, did account for this. The difference in emotion ranking of AOI raised questions about the validity of previous emotion mapping efforts. We extended constructed emotion theory to spatial analysis, demonstrated the limits of current mapping methods, and argued in favor of controlling for autocorrelation for robust spatial emotion research. Our findings can provide methodological guidance for researchers and event managers, and can lay the groundwork for future innovations that integrate physiological, self-reported, and spatial data for sustainable tourism event management. Full article
(This article belongs to the Special Issue Tourism Event and Management)
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11 pages, 669 KB  
Article
Decoding Polyether–Cation Interactions: Computational Strategies for Agricultural Applications
by João Vitor de Jesus Damante, Enzo Ernani da Silva, Felipe Breda Alves, Bruno Andrade Fico, Renato Luis Tame Parreira, Eduardo Ferreira Molina and Renato Pereira Orenha
Polymers 2026, 18(7), 877; https://doi.org/10.3390/polym18070877 - 2 Apr 2026
Viewed by 268
Abstract
Zinc and iron are essential micronutrients in crop nutrition, and polymer-based nanogels have emerged as promising carriers to modulate their availability in sustainable agricultural systems. Here, a polymeric model receptor was designed to investigate how the nature and position of electron-donating (–NH2 [...] Read more.
Zinc and iron are essential micronutrients in crop nutrition, and polymer-based nanogels have emerged as promising carriers to modulate their availability in sustainable agricultural systems. Here, a polymeric model receptor was designed to investigate how the nature and position of electron-donating (–NH2) and electron-withdrawing (–NO2) substituents control the recognition of Zn2+ and Fe2+ cations. Using a combination of density functional theory calculations, energy decomposition analysis with natural orbitals for chemical valence (EDA–NOCV), electrostatic potential (ESP) mapping, and quantum theory of atoms in molecules (QTAIM) method, the receptor–cation interactions are dissected into electrostatic, Pauli repulsion, orbital, and dispersion contributions. The results show that complex stability is governed mainly by orbital and electrostatic terms, with Fe2+ forming the most stable complex (−393.57 kcal mol−1) with regard to a Zn2+ similar complex (−288.80 kcal mol−1). Zn2+ complexes exhibit a broad tunability with substituent pattern. Electron-donating groups systematically strengthen both electrostatic and orbital components, whereas nitro substituents display a pronounced positional effect, ranging from strong destabilization to significant stabilization of Zn2+ binding. These findings establish molecular-level guidelines for engineering polymeric nanogels with tunable affinity and selectivity toward micronutrient cations in agricultural applications. Full article
(This article belongs to the Special Issue Modeling of Polymer Composites and Nanocomposites (2nd Edition))
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11 pages, 2322 KB  
Article
Synthesis, Crystal Structure, and Optical Properties of α-SrHfS3
by K. Arun Joshi Reddy, Subhendu Jana, Sweta Yadav and Paul A. Maggard
Solids 2026, 7(2), 20; https://doi.org/10.3390/solids7020020 - 2 Apr 2026
Viewed by 274
Abstract
Metal-chalcogenide compounds with perovskite-type compositions have drawn increasing attention for their optical properties for solar energy conversion. Herein, a new α-type polymorph of the ternary sulfide SrHfS3 is described, crystallizing in the NH4CdCl3 structure type. The yellow-colored plate-shaped [...] Read more.
Metal-chalcogenide compounds with perovskite-type compositions have drawn increasing attention for their optical properties for solar energy conversion. Herein, a new α-type polymorph of the ternary sulfide SrHfS3 is described, crystallizing in the NH4CdCl3 structure type. The yellow-colored plate-shaped crystals were synthesized at 1173 K using an elemental tin flux in an evacuated sealed tube. Its crystal structure was characterized at room temperature using single crystal X-ray diffraction to form in the orthorhombic Pnma space group, with the refined cell parameters of a = 8.5041(4) Å, b = 3.8004(2) Å, c = 13.8935(6) Å, and V = 449.02(4) Å3. The structure comprises five independent crystallographic sites, having one Sr, one Hf, and three S sites. The structure can be described as containing one-dimensional chains of distorted HfS6 octahedra extending down the b-axis to form 1[HfS3]2− strips of edge-sharing octahedra. The Sr atoms act as charge-balancing space fillers in the structure. High-purity bulk samples of α-SrHfS3 could be prepared for measurement of its bandgap by optical diffuse-reflectance spectroscopy, showing a direct bandgap of 2.1(1) eV. Results of electronic structure calculations are consistent with this bandgap and type. The conduction and valence band edges stem from the respective empty Hf d-orbitals and the filled S p-orbital states. In summary, crystal growth of the α-type polymorph of SrHfS3 has been demonstrated using a Sn flux approach, which can facilitate future broader synthetic explorations at lower temperatures. Full article
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22 pages, 3654 KB  
Article
Boosting Photo-Fenton Activity of FeWO4 via Mn Doping for Pollutant Degradation: Band Structure Engineering and Enhanced Reactive Oxygen Species Generation
by Sheng Wang, Han Li, Huagen Liang and Fu Chen
Inorganics 2026, 14(4), 103; https://doi.org/10.3390/inorganics14040103 - 1 Apr 2026
Viewed by 390
Abstract
Photo-Fenton technology is considered an effective method for removing organic pollutants from water. In this work, a novel Mn-doped FeWO4 (Mn-FeWO4) photocatalyst was synthesized via a one-step hydrothermal method and applied for the photo-Fenton degradation of tetracycline (TC). The optimal [...] Read more.
Photo-Fenton technology is considered an effective method for removing organic pollutants from water. In this work, a novel Mn-doped FeWO4 (Mn-FeWO4) photocatalyst was synthesized via a one-step hydrothermal method and applied for the photo-Fenton degradation of tetracycline (TC). The optimal Mn-FeWO4-0.05 achieved 100% removal of TC within 60 min under visible light irradiation with a degradation rate constant of 0.0793 min−1, which is 4.5 times higher than that of pristine FeWO4. Systematic characterization revealed that Mn2+ ions were successfully incorporated into the FeWO4 lattice, inducing lattice expansion and narrowing the bandgap from 2.37 eV to 2.25 eV, while also adjusting the conduction and valence band positions. This modulation significantly enhanced visible light absorption and promoted the separation and migration of photogenerated electron–hole pairs. In addition, the Mn2+/Mn3+ and Fe2+/Fe3+ dual redox cycles ensure the continuous generation of reactive oxygen species. Radical trapping experiments and electron paramagnetic resonance (EPR) spectroscopy demonstrated that superoxide radicals (•O2) and photogenerated holes (h+) were the dominant reactive species, while singlet oxygen (1O2) and hydroxyl radicals (•OH) played auxiliary roles. Moreover, Mn-FeWO4-0.05 exhibited excellent stability, strong anti-interference ability against common anions, and high degradation efficiency toward various pollutants. Full article
(This article belongs to the Section Inorganic Materials)
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31 pages, 2042 KB  
Article
Moderating Roles of the Big Five in Valence–Arousal Dynamics: A TFace-Bi-GRU-SE and CTSEM Study
by Lingping Meng, Mingzheng Li and Xiao Sun
Information 2026, 17(4), 334; https://doi.org/10.3390/info17040334 - 1 Apr 2026
Viewed by 352
Abstract
Existing research confirms associations between Big Five personality traits and emotional states, yet investigations into how personality traits modulate emotional dynamics and their gender-specific patterns remain limited. The present study developed a TFace-Bi-GRU-SE deep learning model that achieved a weighted accuracy of 63.50 [...] Read more.
Existing research confirms associations between Big Five personality traits and emotional states, yet investigations into how personality traits modulate emotional dynamics and their gender-specific patterns remain limited. The present study developed a TFace-Bi-GRU-SE deep learning model that achieved a weighted accuracy of 63.50 ± 0.98% (peak single-run: 64.96%) and an F1 score of 65.21% in performance testing, with a single-inference time of 14.1 s, outperforming traditional methods. The model processed 10 min video recordings from 30 participants (19,262 observations), generating time-series data for valence (P) and arousal (A). Combined with Big Five personality assessments, continuous-time structural equation modeling (CTSEM) revealed distinct emotional dynamics: both P and A exhibited significant negative autoregression (−0.056 and −0.558, p < 0.001), with A reverting to baseline substantially faster (half-life: 1.2 s) than P (half-life: 12.3 s); cross-lagged effects were nonsignificant (P_A: 0.007; A_P: −0.026, p > 0.05). Arousal demonstrated greater instantaneous volatility (=0.339) than valence (=0.286, p < 0.001), with positive covariation between dimensions (0.218, p = 0.006). Exploratory analyses (N = 30) indicated that higher neuroticism and openness scores were associated with elevated arousal (Cohen’s d > 0.8), whereas higher agreeableness and conscientiousness scores were associated with elevated valence (d > 0.8). Gender moderated the neuroticism–arousal relationship, with more potent effects in females (r = 0.746, p = 0.008). Robustness analyses demonstrated high stability of core DRIFT parameters (P_P, A_A): bootstrap resampling (n = 50) yielded coefficients of variation < 0.35 with 100% directional consistency; subgroup validation confirmed cross-sample invariance. Sensitivity analyses revealed that an additional 8% measurement error induced less than 9% bias (8.3% for both P_P and A_A) in autoregressive parameters while preserving half-life ratios, confirming CTSEM’s capacity to extract reliable dynamics from moderately accurate AI outputs. Bootstrap and Bayesian analyses identified ten personality–DRIFT associations with directional consistency ≥ 70%; these constitute preliminary hypotheses for adequately powered future studies (N ≥ 61). This study provides methodological foundations for personalized affective intervention research. Data and code are publicly available (see Data Availability Statement). Full article
(This article belongs to the Special Issue Deep Learning Approach for Time Series Forecasting)
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