Search Results (307)

Cs₃Cu₂I₅ single crystals are regarded as promising next-generation scintillators due to their large Stokes shift and low self-absorption characteristics. However, the cost-effective solution growth method faces critical challenges: the instability of colloidal precursors in solutions and the severe oxidation of Cu⁺ during crystal growth. This study innovatively introduces yttrium chloride (YCl₃) as a dual-functional additive to address both issues simultaneously. The hydrolysis of YCl₃ creates a controlled acidic environment, effectively suppressing the oxidation of Cu⁺; meanwhile, it enhances the stability of colloidal precursors by significantly increasing their surface charge and narrowing the particle size distribution. These synergistic effects enable the rapid growth (approximately 100 h) of near-centimeter-sized Cs₃Cu₂I₅ single crystals with high crystallinity, without the need for inert gas protection. The optimized crystals exhibit exceptional performance: a photoluminescence quantum yield (PLQY) of 93.22% ± 0.47%, a scintillation decay time of 210.04 ns, and a light yield of ~738.14 pe/MeV. This YCl₃-mediated growth strategy establishes an efficient approach for the solution-based synthesis of high-quality Cs₃Cu₂I₅ single crystals, holding great significance for advancing high-sensitivity, environment-stable radiation detection applications such as medical diagnostics and nuclear safety monitoring. Full article

Transonic buffet is a critical self-sustained shock/boundary-layer instability limiting the flight envelope of modern transport aircraft. This study investigates the interaction between shock buffet and forced wing motion on the Airbus XRF-1 wind tunnel model, using unsteady Reynolds-Averaged Navier–Stokes (URANS) simulations with the DLR TAU code. The investigation is carried out in deep buffet condition ($\mathrm{Ma}=0.84$, $\alpha =4.5^{\circ }$, $\mathrm{Re}=25\times {10}^6$) and validated against wind tunnel data at the same flow condition. The buffet flow is superimposed with forced wing motions derived from a symmetric wing eigenmode at $\mathrm{Sr}=0.164$. Two different amplitudes scaled with the half-span s are considered: $A_{tip}=0.0025·s$ and $0.01·s$. The baseline no-forcing URANS captures the buffet flow quite well with only small deviations in the standard deviation of the surface pressure coefficient $c_{p,rms}$. A special variant of the Discrete Fourier Transformation for the whole wing upper surface $c_p$ distribution revealed that the typical buffet frequencies are also matched. The analysis of the forced simulations revealed a strong influence of the local wing motion on the increase of $c_{p,rms}$. The spectral content showed a shift and damping or amplification of different buffet modes, which is relevant for the interaction of motion induced and buffed induced aerodynamic forces. Full article

The objective of this study was to design and evaluate π-extended 1,8-naphthalimide derivatives as photoinduced electron transfer (PET) optical sensors for protons and metal cations, with emphasis on the role of heterocyclic annulation and receptor–chromophore electronic matching. Benzofuran- and benzodioxin-annulated naphthalimides bearing either a dimethylaminoethyl receptor or a non-donating alkyl substituent at the imide nitrogen were synthesized using tailored synthetic strategies. Their photophysical properties were investigated by absorption and fluorescence spectroscopy, while sensing performance was evaluated by fluorescence titrations. Quantum chemistry calculations were employed to rationalize experimental observations. Benzofuran-annulated derivatives exhibit structured π–π* absorption bands and strong fluorescence, whereas introduction of the receptor induces efficient fluorescence quenching via reductive PET. Protonation or metal ion coordination suppresses PET and leads to pronounced fluorescence enhancement, particularly in the presence of Cu(II) and Sn(II). In contrast, benzodioxin-annulated derivatives display intramolecular charge-transfer absorption bands, large Stokes shifts, and low fluorescence quantum yields in polar media, resulting in a negligible sensing response. Computational results attribute this behavior to an unfavorable energy arrangement of the donor–acceptor orbitals. Overall, the study demonstrates that heterocyclic annulation critically governs the electronic structure and sensing performance of naphthalimide fluorophores, providing guidelines for the rational design of PET-based optical sensors. Full article

Accurate prediction of maximum absorption (λ_abs) and emission (λ_emi) wavelengths are essential for the design of high-performance rhodamine probes. However, available rhodamine optical data is extremely limited and heterogeneous, posing challenges for deep learning models. Here, we developed a contrastive-learning-based multitask graph neural networks framework to predict λ_abs and λ_emi of rhodamine derivatives, using a multi-modal feature by integrating atom–bond level graph representations with solvent descriptors. The model is first pre-trained on 48,148 xanthene-derived molecules with a self-supervised contrastive strategy, as well as fine-tuning on a curated rhodamine dataset containing 390 molecule–solvent pair samples. It yields excellent performance with R² of 0.923 for λ_abs and 0.913 for λ_emi, respectively, outperforming machine learning, single-task, and no-pre-training GNN baselines. External dataset tests and comparisons with theoretical calculations reveal the superiority of our proposed model. Then, attention-based interpretability identifies chemically meaningful regions, including the conjugated backbone and amino substituents, which is consistent with the known photophysical mechanisms. Finally, we designed three new rhodamine derivatives exhibiting high Stokes shifts, with minimum 9 nm deviation between predicted and experimental values. These findings demonstrate that this framework enables accurate fluorescence property prediction and mechanism-informed molecular design, offering a promising theoretical guide for designing next-generation probes. Full article

Far-red phosphors featuring high quantum efficiency and emission bands that strongly overlap with the absorption spectra of plant pigments are crucial for advancing plant cultivation lighting technology. Restricted by the large Stokes shift, far-red phosphors typically exhibit low energy efficiency. Moreover, many far-red phosphors suffer from low quantum efficiency, which has emerged as a critical issue in the research of these materials. To address the issue, conventional strategies—including crystal field engineering, defect engineering, and sensitizer doping—have been widely adopted to enhance their emission intensity. In this work, we propose a novel and effective strategy to improve the emission performance of far-red phosphors: low-melting-point magnesium chloride has been introduced as a flux to regulate the reaction pathway of the composite oxide phosphor Ca₁₄Mg_5.94Li_0.03In_0.03Ga_9.95O₃₅:0.05Mn⁴⁺ (CMLIGO:0.05Mn⁴⁺). The cubic intermediate product with a structure analogous to the target product has been designed to form a compact lattice structure and reduce crystal defects, thereby enhancing the luminescence intensity and quantum efficiency of the phosphor. The Ca₁₄Mg_5.94Li_0.03In_0.03Ga_9.95O₃₅:0.05Mn⁴⁺@3 wt% MgCl₂ (CMLIGO:0.05Mn⁴⁺@3 wt% MgCl₂) shows a broad excitation band (250–600 nm) and far-red emission centered at 720 nm (650–800 nm). Under 365 nm excitation, the CMLIGO:0.05Mn⁴⁺@3 wt% MgCl₂ exhibits an internal quantum efficiency of 91.4%. Benefiting from its high internal quantum efficiency and the emission band that matches well with the absorption spectrum of phytochrome in the far-red absorbing form (phytochrome P_fr), CMLIGO:0.05Mn⁴⁺@3 wt% MgCl₂ demonstrates promising potential for applications in plant cultivation lighting. This work offers a new direction for synthesizing and modification of composite oxide phosphors. Full article

The fluorescence properties of organic molecules are largely determined by molecular architecture, π-conjugation, and electronic substituent effects. In this study, three novel pyrene-chromone Schiff base derivatives were designed and synthesized to investigate substituent-driven modulation of photophysical behavior. The compounds were obtained via condensation of 1-aminopyrene with three different chromone-based aldehydes and fully characterized by FT-IR, ¹H-NMR, and mass spectrometry. The molecular design involves a donor-π-acceptor architecture: pyrene donates electrons, while the chromene moiety accepts them, enabling charge transfer upon excitation. UV-Vis and fluorescence spectroscopy revealed intense absorption in the 430–440 nm range and tunable emission in the 540–565 nm region, corresponding to large Stokes shifts (107–125 nm). Substituent effects significantly influenced optical band gaps and emission intensities, with the nitro-substituted derivative exhibiting a reduced band gap and pronounced fluorescence quenching due to enhanced intramolecular charge transfer. Concentration-dependent absorption studies demonstrated linear Beer–Lambert behavior, indicating the absence of aggregation within the investigated range. These results establish clear structure–property relationships in pyrene-chromene Schiff bases and highlight their potential as promising candidates for optoelectronic and fluorescence-based sensing applications. Full article

Detection of metal ions under complex and heterogeneous conditions is crucial for food safety, environmental monitoring, and cellular studies. Fluorescent proteins (FPs) are attractive biosensors due to their ease of expression, strong emission without external cofactors, and fluorescence quenching upon metal binding. tKeima features a large Stokes shift, pH sensitivity, and spectral stability, reducing background interference and enabling metal detection in complex samples. Here, we examined tKeima quenching toward biologically relevant metal ions (Fe²⁺, Fe³⁺, and Cu²⁺). Metal titration fitted to the Langmuir isotherm yielded dissociation constants (K_d) of 2710.7 ± 178.6 μM (Fe²⁺), 3112.0 ± 176.7 μM (Fe³⁺), and 881.9 ± 76.2 μM (Cu²⁺), with maximum quenching capacities (B_max) of 133.8 ± 2.4%, 128.3 ± 2.5%, and 109.2 ± 1.2%, respectively. Limits of detection were 396.0 μM (Fe²⁺), 428.6 μM (Fe³⁺), and 457.7 μM (Cu²⁺), and linear quenching responses were observed up to ~1000, 1500, and 1000 μM, respectively. Sphere-of-action combined with Stern–Volmer analysis indicated primarily dynamic quenching for Fe²⁺ and Cu²⁺, whereas Fe³⁺ showed a stronger static component. tKeima showed partial fluorescence restoration with ethylenediaminetetraacetic acid and moderate selectivity against interfering ions. These findings clarify tKeima’s metal-quenching mechanism and support its use as a platform for metal-responsive biosensors. Full article

Copper(I) clusters have attracted significant interest due to their ultrasmall size, excellent photostability, large Stokes shift, and long emission lifetime. However, research on their structure–property relationship remains limited. In this study, we synthesized and comprehensively characterized a series of trinuclear copper(I) clusters, [Cu₃(dppm)₃(C≡CC₆H₄X)₂]PF₆ [Cu₃-X, X = F, Cl, Br, and I, dppm = bis(diphenylphosphino)methane], in order to investigate the effect of ligands containing heavy atoms on photoluminescence. All clusters have the same triangular metal core and similar distribution of ligands, with the only difference being the substituent on the phenyl ring of the arylacetylene ligand. Owing to the heavy-atom effect, a notable Stokes shift was observed in the emission spectra of the clusters. Specifically, the emission peak of Cu₃-I reached 564 nm, representing a 73 nm red shift compared to that of Cu₃-F. Furthermore, Cu₃-Br showed an absolute photoluminescence quantum yield of 15.24% and a lifetime of 114.56 μs, corresponding to 3.3-fold and 3.7-fold increases over the values for Cu₃-F. This study provides novel insights into the heavy-atom effect of surface ligands on the luminescence of copper(I) clusters and offers a robust platform for probing their structure–property relationships. Full article

This study developed and evaluated an integrated experimental–computational framework to quantify coconut-oil transport and marbling stabilization in soy protein concentrate (SPC) during static holding and co-extrusion with a cooling die. Temperature-sweep rheology and Differential Scanning Calorimetry (DSC) identified the main gelation transition at 65–78 °C, with oil shifting gelation to higher temperatures and increasing enthalpy, supporting an exit/cooling target of 70–75 °C. Static drop tests at 100 °C for 60 s were analyzed by depth-resolved imaging and coupled with a single-phase CFD model to inversely calibrate an effective diffusion coefficient for coconut oil in SPC (D_ref = 4.86 × 10⁻¹⁸ m²/s). A viscosity-coupled fractional Stokes–Einstein relationship then gave temperature-dependent effective diffusivities of 1.89 × 10⁻¹⁸ to 4.86 × 10⁻¹⁸ m²/s over 60–100 °C, indicating reduced oil mobility during cooling. Additional static time-temperature comparisons suggested limited redistribution beyond ~50 s. Co-extrusion simulations and product imaging further indicated that staged hot-zone residence followed by rapid cooling can help stabilize oil domains into marbling-like structures. The framework can support selection of cooling-die temperatures, residence times, and oil-injection conditions. Future work should extend the framework by linking marbling microstructure with sensory performance, oxidative stability, and sensitivity analysis of key transport parameters. Full article

Heliostats constitute essential elements within concentrating solar power (CSP), where their structure, load profiles, and operational environment render wind loads a critical factor in their design considerations, as these loads directly impact the cost of energy generation. The aerodynamics significantly influence wind-induced effects, resulting in considerable variability in wind loads among different heliostat geometries. This study utilizes the Computational Fluid Dynamics (CFD) methodology to systematically examine the aerodynamic behavior of an isolated pentagonal heliostat. Employing the Unsteady Reynolds-Averaged Navier–Stokes (URANS) equations with an atmospheric boundary layer inlet condition, the investigation focuses on the flow field and wind load characteristics at four representative pitch angles: 0° (stow position), 30°, 60°, and 90°. Findings indicate that the pitch angle exerts a decisive impact on flow separation patterns. Specifically, as the elevation angle decreases, the flow regime shifts from being predominantly influenced by the mirror surface to being governed by the support structure, mediated through an interactive coupling between these components. At the 60° operational pitch angle, the pentagonal heliostat’s distinctive corner geometry induces an asymmetric vortex configuration—characterized by a smaller vortex at the top and a larger one at the bottom—thereby disrupting the conventional vortex distribution observed in symmetric heliostat designs. A further analysis of wind load characteristics indicates that, compared to a quadrilateral heliostat, the pentagonal mirror exhibits a significantly lower Elevation Moment Coefficient, despite a slight increase in the normal force coefficient. This reduction is attributed to a balancing mechanism: the “vortex structure asymmetry” creates an upper-large–lower-small distribution of absolute negative pressure on the support surface, while the “stagnation point position” shift with elevation angle produces an upper-small–lower-large distribution of absolute positive pressure on the reflector. The interaction between these opposing trends minimizes the net pressure differential across the mirror height, thereby contributing to superior overall aerodynamic performance. The reduction in the elevation moment coefficient contributes to enhanced structural wind resistance, thereby improving the overall energy efficiency and economic viability of concentrating solar power. Full article

Terpyridines are well-known ligands in coordination chemistry, are valued for their conformational flexibility and strong metal-binding properties, and are also of interest as fluorophores. This study focused on the synthesis and comprehensive investigation of a new class of bis-oxazolo[5,4-b]pyridine derivatives, designed based on their structural similarity to terpyridines. Four novel compounds, 4a–d, were synthesized by cyclization of amide derivatives of 3-aminopyridin-2(1H)-ones using pyridine-2,6-dicarboxylic acid and its dichloride as key acidic components. Their structures and purity were confirmed by melting point analysis, high-resolution mass spectrometry, and ¹H, ¹³C NMR spectroscopy. Compounds 4a–c exhibit UV absorption at 323–357 nm and intense blue to deep-blue fluorescence (357–474 nm, цi ≈ 0.32–0.84) in chloroform, dichloromethane, and acetonitrile, attributed to p–p* transitions within the conjugated ring system. These findings suggest their potential as phosphors for organic electronics. Computational modeling of 4a–c molecules provided insight into their electronic structures, conformational stability, and predicted optical behavior. The most stable conformers (4a–II, 4b–II, 4c–II′) exhibited a progressive decrease in the HOMO–LUMO gap from 4a to 4c, correlated with the enhancement of photoactivity. Among them, compound 4a stands out as the most promising luminophore, displaying the most intense and narrow luminescence band, owing to its high molecular symmetry and stable emission characteristics. Overall, this study lays the foundation for future studies of bis(oxazolo[5,4-b]pyridine) derivatives in coordination chemistry and optoelectronic materials development. Full article

Boron-dipyrromethene (BODIPY) dyes belong to a class of organoboron compounds that have become ubiquitous for researchers in areas of fluorescence imaging, photodynamic therapy, and optoelectronics. The intrinsic qualities of BODIPY dyes and their meso-modified structural analogs, Aza-BODIPY dyes, have propelled their recent increase in use in biomedical applications. The two scaffolds have high quantum yields, narrow absorption, and emission bandwidths with large Stokes’ shifts, and high photostability and thermal stability. Because their properties are independent of solvent polarity and dye functionality, they can be tuned to promote novel analytical methods, resulting in the adaptation of the physicochemical and spectral properties of the dyes. In this review of BODIPY and Aza-BODIPY scaffolds, we will summarize their spectral properties, synthetic methods of preparation, and applications reported between 2014 and 2025. This review aims to summarize the advances in chemosensing, especially pH sensor development, and the advances in NIR-II window bioimaging probes. We hope that this succinct overview of Aza-BODIPY scaffolds will highlight their untapped potential, elucidating insights that may catalyze novel ideas in the physical organic realm of BODIPY. Full article

Under the dual pressures of global climate change and anthropogenic activities, enhancing the ecological functions of hydraulic structures has become a critical direction for sustainable watershed management. While traditional spur dike designs primarily focus on bank protection and flood control, current demands require additional consideration of river ecosystem restoration. Numerical simulations were performed using the RNG k-ε turbulence model to solve the three-dimensional Reynolds-averaged Navier–Stokes equations, a formulation that enhances prediction accuracy for complex flows in curved channels, including separation and reattachment. Following a grid independence study and the application of standard wall functions for near-wall treatment, a comparative analysis was conducted to examine the flow characteristics and ecological effects within a 180° channel bend under three configurations: no spur dikes, a single-side arrangement, and a staggered arrangement of non-submerged, flow-aligned, rectangular thin-walled spur dikes. The results demonstrate that staggered spur dikes significantly reduce the lateral water surface gradient by concentrating the main flow, thereby balancing water levels along the concave and convex banks and suppressing lateral channel migration. Their synergistic flow-contracting effect enhances the kinetic energy of the main flow and generates multi-scale turbulent vortices, which not only increase sediment transport capacity in the main channel but also create diverse habitat conditions. Specifically, the bed shear stress in the central channel region reached 2.3 times the natural level. Flow separation near the dike heads generated a high-velocity zone, elevating velocity and turbulent kinetic energy by factors of 2.3 and 6.8, respectively. This shift promoted bed sediment coarsening and consequently increased scour resistance. In contrast, the low-shear wake zones behind the dikes, with weakened hydrodynamic forces, facilitated fine-sediment deposition and the growth of point bars. Furthermore, this study identifies a critical interface (observed at approximately 60% of the water depth) that serves as a key interface for vertical energy conversion. Below this height, turbulence intensity intermittently increases, whereas above it, energy dissipates markedly. This critical elevation, controlled by both the spur dike configuration and flow conditions, embodies the transition mechanism of kinetic energy from the mean flow to turbulent motions. These findings provide a theoretical basis and engineering reference for optimizing eco-friendly spur dike designs in meandering rivers. Full article

Synthesizing photo-realistic images of a scene from arbitrary viewpoints and under arbitrary lighting environments is one of the important research topics in computer vision and graphics. In this paper, we propose a method for synthesizing photo-realistic images of a scene with fluorescent objects from novel viewpoints and under novel lighting colors and spectra. In general, fluorescent materials absorb light with certain wavelengths and then emit light with longer wavelengths than the absorbed ones, in contrast to reflective materials, which preserve wavelengths of light. Therefore, we cannot reproduce the colors of fluorescent objects under arbitrary lighting colors by combining conventional view synthesis techniques with the white balance adjustment of the RGB channels. Accordingly, we extend the novel-view synthesis based on the neural radiance fields by incorporating the superposition principle of light; our proposed method captures a sparse set of images of a scene from varying viewpoints and under varying lighting colors or spectra with active lighting systems such as a color display or a multi-spectral light stage and then synthesizes photo-realistic images of the scene without explicitly modeling its geometric and photometric models. We conducted a number of experiments using real images captured with an LCD and confirmed that our method works better than the existing methods. Moreover, we showed that the extension of our method using more than three primary colors with a light stage enables us to reproduce the colors of fluorescent objects under common light sources. Full article

The tip leakage flow at both sides of the nozzle vane is an important factor for the reduction in turbine aerothermal performance. A strong shock wave is generated at the trailing edge of the nozzle vane under transonic condition, which can interfere with the tip leakage vortex and further aggravate the complexity of the flow field. The primary purpose of this study is to obtain a deeper understanding of the interference mechanism of shock waves on the leakage vortex. Three-dimensional Reynolds averaged Navier–Stokes calculations were performed to investigate the transonic flow fields in the nozzle vane cascade. The flow structure of the tip leakage flow, interference of the shock wave on the tip leakage vortex, and influence of the expansion ratio on the interference effect were analyzed and discussed. The authors found that the tip leakage vortex expanded and broke owing to the reverse pressure gradient under the interference of the shock wave, resulting in a significant increase in flow losses. As the expansion ratio increased, the expansion position of the tip leakage vortex shifted to the trailing edge, and the size of the tip leakage vortex significantly increased initially but remained unchanged at the vane rear part. Additionally, the schematic diagram of a model for interference between the shock wave and leakage vortex is presented to describe the shape of the shock wave and leakage vortex. The numerical results provide a better understanding of the complex flow field phenomena in variable nozzle turbines. Full article