jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sara Trigo Pérez | Paula Escamilla Berenguer | Manuel Souto Salom
Source: Anales de Química de la RSEQ (article, 2026-03-31)
Field: Materials Science — Materials Chemistry

Redes orgánicas covalentes electroactivas como cátodos orgánicos para baterías recargables Los materiales orgánicos electroactivos han despertado un gran interés como electrodos alternativos para baterías de iones metálicos, debido a su alta capacidad teórica, amplia disponibilidad de recursos y sostenibilidad. En particular, las redes orgánicas covalentes (COFs) redox-activas han surgido recientemente como electrodos prometedores gracias a sus propiedades electroquímicas ajustables, su insolubilidad en electrolitos y su gran versatilidad estructural. En este artículo se revisan algunas estrategias para mejorar la densidad energética de los electrodos basados en COFs, desde la perspectiva del diseño molecular hasta la optimización del electrodo. Asimismo, se abordan otros aspectos re-levantes, como la estabilidad y la escalabilidad. Finalmente, se destacan los principales desafíos para mejorar su rendimiento y las perspectivas futuras de las baterías orgánicas basadas en COFs. Population ; Context (archaeology) ; Coronavirus disease 2019 (COVID-19) Covalent Organic Framework Applications ; Advanced battery technologies research ; CO2 Reduction Techniques and Catalysts
Authors: Demet Sarıyer | Mustafa Emre Erbil
Source: International Journal of Computational and Experimental Science and Engineering (article, 2026-03-27)
Field: Materials Science — Materials Chemistry

Comparative Analysis of Secondary Particle Production and Spatial Dose Distributions in Multilayer Concrete-Iron Shielding Systems for a 50 MeV Proton Accelerator Using FLUKA Proton accelerators operating in the medium-energy range generate complex secondary radiation fields due to proton-target interactions, where neutrons constitute the dominant component from a shielding perspective. In such systems, the design of effective shielding structures requires not only appropriate material selection but also optimized layer arrangement and geometry. Although multilayer shielding approaches have been widely studied, systematic comparisons of iron–concrete configurations with varying layer sequences and structural complexity remain limited.In this study, secondary particle production and spatial dose distributions generated by 50 MeV protons interacting with a copper target were investigated under two different multilayer shielding configurations composed of iron and concrete. The first configuration consists of a complex hybrid structure with multiple iron layers embedded within concrete, while the second employs a simplified arrangement with a single inner iron layer surrounded by concrete. Monte Carlo simulations were performed using the FLUKA code to evaluate secondary particle yields and two-dimensional dose distribution maps in terms of ambient dose equivalent H*(10). The results indicate that total secondary particle production and relative particle contributions remain nearly identical for both shielding designs, confirming that particle generation is primarily governed by proton–target interactions. However, significant differences were observed in spatial dose distributions. The multilayer hybrid configuration leads to more heterogeneous and spatially extended dose fields due to increased scattering and material interface effects, whereas the simplified configuration provides a more confined and homogeneous radiation field with sharper attenuation characteristics. These findings demonstrate that shielding performance is strongly influenced by layer arrangement and geometric complexity rather than particle production alone. The study highlights the importance of spatial dose control in multilayer shielding design and provides new insights into the optimization of iron–concrete hybrid shielding systems for medium-energy proton accelerator applications. Electromagnetic shielding ; Proton ; Neutron ; Particle (ecology) ; Monte Carlo method ; Scattering ; Range (aeronautics) ; Attenuation ; Particle accelerator Radiation Shielding Materials Analysis ; Radiation Therapy and Dosimetry ; Graphite, nuclear technology, radiation studies
Authors: Aasia Kanwal | Jamaludin Mohamed | Mahad Butt | Hidayat Ur Rahman | Norhida Ramli | Saiful Bahri Talip | Showkat Ahmad Bhawani
Source: Pharmacognosy Journal (article, 2026-02-01)
Field: Chemistry — Organic Chemistry

Effect of Components of Gamma Oryzanol on Toll-Like Receptor 4: Receptor Structure-Based Pharmacophore, Hit Identification, and In Silico Evidence In silico ; Receptor ; Receptor-mediated endocytosis ; Enzyme-linked receptor Edible Oils Quality and Analysis ; Sulfur Compounds in Biology ; Nitric Oxide and Endothelin Effects
Authors: Max Au-Yeung | Reza Haqshenas
Source:  (article, 2026-02-12)
Field: Materials Science — Materials Chemistry

Quantitative Characterization of Cavitation Features in Acoustic Emission Signals Using Wavelet Packet Transforms and k-means Clustering Acoustic emissions from cavitation bubbles contain complex information about bubble dynamics. Passive cavitation detectors are widely used to measure these emissions. Processing this data enables cavitation monitoring, which has a broad range of biomedical applications. Traditional methods typically rely on spectral features to identify and characterize cavitation qualitatively. However, because of the non-unique relationship between spectral features and cavitation activity, spectral analyses are often not sufficient for characterizing cavitation. This paper presents a novel approach that combines multi-resolution time-frequency analysis using the wavelet packet transform with statistical feature extraction, self-organising maps, and k-means clustering to separate, quantify, and classify cavitation features in acoustic emissions. We introduce metrics adapted from optics to quantify the frequency bandwidth of the broadband component usually associated with transient cavitation. The method is validated using synthetic acoustic emissions generated by solving single-bubble dynamics via the Gilmore–Akulichev model, and further tested on experimental data from biomedical ultrasound applications. Cavitation ; Acoustic emission ; Wavelet ; Broadband ; Wavelet transform ; Wavelet packet decomposition ; Cluster analysis ; Detector ; Feature (linguistics) Ultrasound and Cavitation Phenomena ; Ultrasound and Hyperthermia Applications ; Ultrasound Imaging and Elastography
Authors: Kang Wang | Wanhong Huang | Hao Gang Wang
Source:  (article, 2026-03-10)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Magnetically Switchable Metalens for Polarization-Dependent Nonreciprocal Forward-Propagating Wavefront Manipulations We propose a nonreciprocal hybrid-phased magnetically switchable metalens (MSM), in which the magnetic bias applied to the ferrite slab selects the handedness of the forward-propagating circularly polarized wave, while a nonreciprocal hybrid-phase composed of both the geometric and propagation phases is introduced to tailor the phase response. Unlike Pancharatnam–Berry (PB) phase–only designs, whose phase response is strictly locked to the incident spin state, an additional propagation phase is introduced by adjusting the height of the top elliptical dielectric post, providing an extra degree of freedom for wavefront manipulation. This nonreciprocal hybrid-phase strategy overcomes the spin-locking constraint and enables cooperative focusing of both left-handed (LHCP) and right-handed (RHCP) circularly polarized waves under forward transmission. Moreover, the proposed MSM exhibits a pronounced spin-dependent nonreciprocal response, achieving an isolation ratio of up to 9.17 dB under ±10 mT magnetic bias, thereby enabling selective forward transmission for the designated circular polarization while suppressing the backward-propagating opposite-spin energy from the focal region. Notably, the ferrite material used in this work is commercially available, eliminating the need for any special custom fabrication. The proposed MSM provides a reconfigurable platform for polarization‑dependent nonreciprocal wave manipulation, offering strong potential for adaptive microwave imaging and integrated nonreciprocal components. Wavefront ; Circular polarization ; Polarization (electrochemistry) ; Ferrite (magnet) ; Phase compensation ; Microwave ; Slab ; Photonics ; Phase (matter) Metamaterials and Metasurfaces Applications ; Magnetic properties of thin films ; Advanced Wireless Communication Technologies
Authors: Dimitris Valatsos | Kostas Gkountanas | Yannis Dotsikas
Source: Separations (article, 2026-02-06)
Field: Chemistry — Analytical Chemistry

Determination of Paracetamol and Orphenadrine Citrate in Tablets via a Novel RP-HPLC Method: Development Following Box–Behnken Design, Validation, Robustness Testing, and Greenness Assessment Paracetamol (PAR) and orphenadrine citrate (ORPH) are two active substances commonly used in combination medicinal products, due to the analgesic effect of paracetamol and the muscle relaxant effect of orphenadrine, with a therapeutic indication of mild to moderate acute musculoskeletal pain. The aim of this work is to develop and validate an isocratic HPLC method for the simultaneous determination of PAR and ORPH in tablet formulation. Preliminary experiments showed that an analytical column with a chemically bound phenyl phase was required. A Box–Behnken design (BBD) was utilized to optimize the analytical method for two key responses, PAR asymmetry factor (AsymPAR) and ORPH capacity factor (kORPH), with three numerical factors: percentage of ACN in mobile phase (A); pH (B); and salt concentration in the aqueous solution (C). The optimized method consists of a Pinnacle DB Biphenyl (250 × 4.6 mm) 5 µm column, and a mobile phase of 37%/63% v/v ACN-NaH2PO4·H2O in 29 mM aqueous solution, pH = 2.5. The flow rate was set to 1.5 mL/min and detection occurred at 215 nm. After the optimization process the following chromatographic conditions were selected and the method was validated for various ICH parameters covering system suitability, specificity, linearity (R2 = 1.00), precision (%RSD ≤ 2), accuracy (98% ≤ %Recovery ≤ 102%), and robustness. Finally, the environmental friendliness of the novel method was assessed by using the Analytical GREEnness (AGREE) metric tool, obtaining a score of 0.67. Aqueous solution ; Robustness (evolution) ; Analgesic ; Linearity ; Volumetric flow rate ; Muscle relaxant ; High-performance liquid chromatography ; Sodium citrate Analytical Methods in Pharmaceuticals ; Analytical Chemistry and Chromatography ; Pharmacological Effects and Assays
Authors: J. Zhang | Nadia El Mammeri | Mei Hong
Source: Journal of Biological Chemistry (article, 2026-02-25)
Field: Materials Science — Biomaterials

Full-length tau seeded by C-shaped tau fibrils is conformationally variable A number of neurodegenerative amyloid proteins have been found to adopt disease-specific structures in the human brain. This prion-like propagation of the amyloid structure requires recruitment of soluble monomers containing various posttranslational modifications to adopt the same structure as the fibril seeds. To understand the structural fidelity of seeding for amyloid proteins that possess large intrinsically disordered regions, here we investigate the seeding of a full-length phospho-mimetic tau protein, 4E tau, using a truncated tau construct that adopts the C-shaped Alzheimer's disease (AD) fold. Sedimentation gels indicate that four replicas of cross-seeded reactions all showed accelerated fibrillization kinetics. However, solid-state NMR spectra indicate that these cross-seeded samples have structurally variable cores, all of which differ from the AD fold of the seed fibrils, some of which resemble the unseeded triple-stranded structure of the full-length protein, and two of which contain two polymorphs. INEPT NMR spectra indicate that these cross-seeded replicas have similar dynamic disorder for their fuzzy coat, which differs from the dynamics of unseeded full-length 4E tau. These results indicate that accelerated fibrillization kinetics do not necessarily correlate with faithful amplification of the seed structure, and surface-catalyzed nucleation of full-length tau with large intrinsically disordered regions leads to structural polymorphism and structural evolution from the seed fibrils. Fibril ; Seeding ; Kinetics ; Monomer ; Nucleation ; Amyloid (mycology) ; Tau protein ; Amyloid fibril Supramolecular Self-Assembly in Materials ; Alzheimer's disease research and treatments ; Theoretical and Computational Physics
Authors: Sachin Kumar Gupta | Vaishnavi Chandrashekar Gosi | Parth Pareek | Patri Upender
Source: Scientific Reports (article, 2026-03-10)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Dual-band graphene-assisted metamaterial absorber with machine learning integration for high-sensitivity THz biosensing In this work, a compact dual-band terahertz (THz) metamaterial absorber integrated with graphene is presented for high-performance biosensing applications. The structure is composed of four concentric octagonal rings, where two are metallic and two are graphene-based, supported on a SiO2 substrate backed by a gold ground plane. The dual-resonant response is achieved through the metallic rings, while the graphene layers enhance absorption and tunability by improving impedance matching with free space. The absorber demonstrates near-unity absorption at 0.9623 THz and 1.4079 THz, with maximum sensitivities of 1.7435 THz/RIU and 1.475 THz/RIU, and corresponding high figures of merit and quality factors, making it highly suitable for precise biosensing. A detailed parametric analysis confirms the influence of structural dimensions on absorption efficiency, while the equivalent circuit model validates the underlying resonance mechanisms. Furthermore, machine learning models are employed to predict absorption characteristics and support biosensing tasks such as virus detection, thereby reducing the need for repeated full-wave simulations. The proposed design effectively combines compact geometry, high sensitivity, excellent selectivity, and ML-assisted optimization, positioning it as a versatile candidate for next-generation THz biosensing and biomedical diagnostics. Terahertz radiation ; Metamaterial ; Biosensor ; Metamaterial absorber Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Terahertz technology and applications
Authors: Ailikemu Mulati | Yuting Yang | Xinmeng Huang | Yuanpeng Li | Aihemaitijiang Aihaiti | Jing Lu | Yuanyuan Hou | Jinhua Wang
Source: Foods (article, 2026-02-09)
Field: Chemistry — Organic Chemistry

Effects of Frying Temperature and Composite Spices on the Release Characteristics of Rapeseed Seasoning Oil In Chinese cuisine, seasoning oil enhances the aroma and appearance of dishes. This study examined how processing affects flavor release in multi-ingredient oils. Volatile organic compounds (VOCs), relative odor activity value (ROAV), and variable importance projection (VIP) were used to assess flavor changes. Optimal frying was 160 °C for 15 min with 11% green Sichuan peppercorn, 3% ghost pepper, 6% green onion, 0.1% bay leaf, 0.2% deseeded tsaoko, 0.5% star anise, 0.3% fennel seeds, 1.5% dried Erjingtiao chili, 5% ginger, and 2.5% red Sichuan peppercorn. Gas chromatography-ion mobility spectrometry (GC-IMS) and gas chromatography-mass spectrometry (GC-MS) analyzed heating at 150 °C, 160 °C, and 170 °C. Temperature strongly influenced VOC formation; 160 °C produced the most diverse VOCs, including aldehydes, ketones, terpenes, esters, and alcohols. Multivariate analysis identified 73 key compounds (VIP > 1) between 150 and 160 °C, but only 39 between 160 and 170 °C, indicating that high heat reduces complexity. Compounds such as 2-methylpyrazine and (E)-2-heptenal contributed caramel, nutty, buttery notes, with 2-methoxy-3-(1-methylethyl)-pyrazine as the core aroma. Frying at 160 °C balanced sweet, floral, and roasted aromas, offering guidance for precise seasoning oil flavor control. Seasoning ; Flavor ; Aroma ; Odor ; Rapeseed ; Composite number Edible Oils Quality and Analysis ; Nuts composition and effects ; Fermentation and Sensory Analysis
Authors: Ahmed Nagaty | Arafa H. Aly | Walied Sabra
Source: Scientific Reports (article, 2026-04-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Computational design and geometry-driven modeling of TiN-based plasmonic metasurface absorbers We numerically investigate plasmonic metasurface absorbers based on hollow square, hollow cylindrical, and conical nanoantenna geometries fabricated from various plasmonic materials, with emphasis on titanium nitride (TiN) as a refractory alternative to noble metals. Full-wave finite-element simulations in the visible range reveal geometry- and material-dependent absorption behavior, where TiN designs exhibit strong broadband absorption and reduced sensitivity to geometrical variations within the studied parameter space. Fitted analytical models are developed to describe the dependence of wavelength-averaged absorption (400-800 nm) on key structural parameters, enabling reliable performance prediction and efficient optimization. The results show that the intrinsic optical losses and damping properties of TiN support broadband absorption and fabrication tolerance for the examined geometries. This work provides a quantitatively supported framework for designing optimized plasmonic metasurface absorbers for applications such as solar energy harvesting, optical sensing, photothermal conversion, and radiative thermal management. Plasmon ; Absorption (acoustics) ; Tin ; Broadband ; Fabrication ; Photothermal therapy ; Conical surface ; Radiative transfer Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Thermal Radiation and Cooling Technologies
Authors: Cheima Hammami | Luc Le Magoarou | Christos Monochristou | David González-Ovejero | Ali Momeni | Romain Fleury | Philipp del Hougne
Source: arXiv (Cornell University) (article, 2026-03-13)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Expressivity of Programmable-Metasurface-Based Physical Neural Networks: Encoding Non-Linearity, Structural Non-Linearity, and Depth Wave-based signal processing conventionally encodes input data into the input wavefront, making it challenging to implement non-linear operations. Programmable wave systems enable an alternative approach: encoding the input data into the scattering properties of tunable components. With such structural input encoding, two potentially non-linear mappings are involved: first, from the input data to the tunable components' scattering characteristics, and, second, from these scattering characteristics to the output wavefront. In this paper, we systematically examine the expressivity of a wave-based physical neural network (WPNN) with structural input encoding. Our analysis is based on a physics-consistent multiport-network model of a compact D-band rich-scattering cavity parametrized by a 100-element programmable metasurface. We separately control encoding non-linearity, structural non-linearity, and network depth in order to examine their interplay, considering a controlled scalar regression task. With phase encoding and strong inter-element mutual coupling (MC), both aforementioned mappings are strongly non-linear and the WPNN performs very well even with a single layer. We further observe that additional layers can partially compensate for weak inter-element MC. In addition, we demonstrate that WPNN depth can improve expressivity even when it is not associated with an increase in trainable weights. Altogether, our results provide a physics-consistent picture of how encoding choice, MC strength, and depth jointly govern the expressive power of PM-based WPNNs, informing design choices for future experimental implementations of WPNNs. Encoding (memory) ; Expressivity ; Artificial neural network ; Coupling (piping) ; Scalar (mathematics) ; SIGNAL (programming language) ; Scattering Metamaterials and Metasurfaces Applications ; Acoustic Wave Phenomena Research ; Neural Networks and Reservoir Computing
Authors: Hanyi Zhang | Xueqi Xing | Yì Wáng | Chao Nie | Yuxin Du | Junying Zhang | Xueyang Shen | Wen Zhou | Prof. Dr. Matthias Wuttig | Riccardo Mazzarello | Wei Zhang
Source: Advanced Science (article, 2026-02-11)
Field: Materials Science — Materials Chemistry

Atomistic Understanding of 2D Monatomic Phase‐Change Material for Non‐Volatile Optical Applications Elemental antimony (Sb) is a promising material for phase-change memory, neuromorphic computing, and nanophotonic applications, because its compositional simplicity prevents phase segregation upon extensive programming. Scaling down the film thickness is a necessary step to prolong the amorphous-state lifetime. However, the optical properties of Sb are significantly altered as the thickness is reduced to a few nanometers, adding complexity to device optimization. In this work, an atomistic understanding of the thickness-dependent optical responses is provided in Sb thin films. As thickness decreases, both the extinction coefficient and optical contrast are reduced in the near-infrared spectrum, consistent with previous optical measurements. Such thickness dependence establishes a practical thickness limit of 2 nm, as predicted by coarse-grained device simulations. Bonding analysis reveals a fundamentally different behavior for amorphous and crystalline Sb upon downscaling, resulting in the reduction of optical contrast. Thin film experiments are also carried out to validate our predictions. The thickness-dependent optical trend is demonstrated by ellipsometric spectroscopy experiments, and the bottom thickness limit of 2 nm is confirmed by structural characterization experiments. Finally, it is shown that the greatly improved amorphous-phase stability of the 2 nm Sb thin film enables robust and reversible optical switching in a silicon-based waveguide device. Amorphous solid ; Thin film ; Nanophotonics ; Antimony ; Scaling ; Molar absorptivity ; Characterization (materials science) ; Phase (matter) ; Spectroscopy Phase-change materials and chalcogenides ; 2D Materials and Applications ; Transition Metal Oxide Nanomaterials