jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xingye Song | Yifei Lu | Wenjing Zhou | Yuxing Guo | Li Cui | Haijun Zhu
Source: Molecules (article, 2026-02-24)
Field: Chemistry — Organic Chemistry

Visual Detection of Oxidation in Pecan Oil Using a Filter-Paper-Based Color-Sensitive Aldehyde Detection System Traditional analytical methods for assessing oil oxidation frequently depend on expensive and intricate equipment or elaborate procedures, thereby hindering their practical use in everyday situations. Sensory evaluation and GC-MS analysis indicated that during storage, the peroxide value (PV) and aldehyde content of pecan oil increased, consistent with progressive oxidation, while the acid value (AV) remained stable. The shelf-life prediction model further underscores its reliability as an oxidation marker. The coefficient of determination (R<sup>2</sup>) for the first-order kinetic model at temperatures of 20, 40, 50, and 60 °C ranged from 0.9183 to 0.9841. The correlation coefficients between the measured and predicted shelf-life values were 0.9993 for cold-pressed pecan oil (CPO) and 0.9866 for hot-pressed pecan oil (HPO). A filter-paper-based colorimetric aldehyde sensor was developed for the visual assessment of pecan oil shelf-life, which leverages the chemical reaction between hydroxylamine sulfate and aldehydes to generate a distinct naked-eye color shift from red to purple-blue-this enables the qualitative identification of whether cold-pressed (CPO) and hot-pressed (HPO) pecan oil complies with the national peroxide value (PV) limit of 0.25 g/100 g or exceeds it. Specifically, CPO is deemed to be expired when a* ≤ 11 and HPO when a* ≤ 15; consistent red-to-purple-blue color changes for the sensor yielded 100% sensitivity and 100% specificity for both oils at the national PV limit, thereby validating its application as a highly accurate qualitative (pass/fail) indicator for oil oxidation. By contrast, sensory evaluation can also reliably distinguish when pecan oil exceeds the national PV limit qualitatively, yet it lacks quantitative accuracy due to inherent subjective biases. Peroxide value ; Aldehyde ; Detection limit ; Acid value ; Peroxide ; Vegetable oil ; Reliability (semiconductor) Edible Oils Quality and Analysis ; Nuts composition and effects ; Lubricants and Their Additives
Authors: Intan Liyana Ramli | Farhana Mohd Foudzi | Abu Bakar Sulong | Nabilah Afiqah Mohd Radzuan | Wei Yin | Zainuddin Sajuri | M. Furjan | Shahrul Irwan Musa
Source: International Journal of Precision Engineering and Manufacturing (article, 2026-03-20)
Field: Materials Science — Materials Chemistry

Selective Laser Melting of NiTi Shape Memory Alloys: a Systematic Literature Review on Microstructure, Mechanical Properties, and Processing Parameter Optimisation Additive manufacturing (AM) enables the fabrication of complex geometries with high precision, and selective laser melting (SLM) has emerged as a key technique for producing high-performance metallic components with tailored properties. The use of SLM for NiTi shape memory alloys (SMAs) has attracted growing interest due to their superelasticity, shape memory effect, and phase transformation behaviour, which are essential for advanced engineering and biomedical applications. However, achieving a reliable balance between mechanical performance, microstructural stability, and functional reliability through parameter optimisation remains challenging. The review critically examines the key factors influencing mechanical properties, phase transformation behaviour, and microstructural evolution of NiTi SMAs produced by SLM. Relevant studies were systematically identified, screened, and analysed from the Web of Science and Scopus databases following the PRISMA framework to ensure a transparent and objective selection process. The synthesis of current research shows that scanning speed, hatch spacing, and scanning strategy strongly influence grain morphology, texture development, defect formation, precipitation behaviour, and transformation temperatures. The wide scatter in reported tensile and functional properties is shown to arise from different optimisation priorities, where strength-oriented parameter sets promote slip-dominated deformation at the expense of ductility and recoverable strain, while transformation-preserving strategies maintain superior functional recovery even at comparable porosity levels. Despite significant progress, challenges related to porosity, anisotropy, compositional instability, and post-processing remain. Overall, this review highlights that optimisation of SLM NiTi must be treated as a system-level problem, integrating statistical design of experiments, predictive thermal–metallurgical modelling, and in situ process monitoring to define robust, geometry-aware processing windows for application-specific performance. Nickel titanium ; Shape-memory alloy ; Selective laser melting ; Laser ; Systematic error Shape Memory Alloy Transformations ; High Entropy Alloys Studies ; Advanced Materials and Mechanics
Authors: Md. Monirul Islam Rajib | Md. Nurul Haque Samdany | Shadman Quamar Mahir | Mahbuba Sultana Mukta
Source: Journal of Textile Science and Technology (article, 2026-01-01)
Field: Materials Science — Polymers and Plastics

Exploring CO&lt;sub&gt;2&lt;/sub&gt; Laser Treatment for Distressed Effects on Knit Fabrics: A Study of Aesthetic and Durability Impacts This study investigates whether CO2 laser distressing can create acceptable distressed aesthetics on multiple knitted fabric structures while maintaining durability after washing. The primary aim was to evaluate the performance of CO2 laser technology under laundering conditions, with the long-term objective of establishing it as a standard, environmentally sustainable process in garment manufacturing. Thirteen knitted fabric samples were subjected to CO2 laser treatment followed by washing tests to assess changes in appearance, structural integrity, and shrinkage behavior. The results indicate that most knit structures did not retain satisfactory distressed effects after laundering. However, French terry fabric emerged as the only substrate that maintained a controlled distressed appearance with acceptable shrinkage and structural integrity. The findings position CO2 laser finishing as a more sustainable alternative to conventional distressing processes such as sandblasting and acid washing, which are associated with significant environmental and health hazards. While CO2 laser technology demonstrates strong potential for sustainable textile production and fashion design, challenges remain in ensuring garment durability and long-term aesthetic retention, as demanded by consumers. Given that the fashion industry contributes approximately 10% of global carbon emissions, adopting cleaner technologies such as CO2 laser processing could significantly reduce environmental impact while supporting innovation and new employment opportunities in sustainable manufacturing. Durability ; Sustainability ; Position (finance) ; Textile ; Laser treatment ; Process (computing) Textile materials and evaluations ; Dyeing and Modifying Textile Fibers ; Dermatologic Treatments and Research
Authors: Ata Ur Rahman Khalid | Naeem Ullah | Nannan Li | Hui Li | Muhammad Ali Babar Abbasi | R. M. Bowman
Source: ArXiv.org (article, 2026-01-07)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Emergence of Pascal's triangle in cascaded polarization optics: an intuitive framework for field transformation Nature is imbued with mathematics, manifested through its stunning patterns, symmetries, and structures. Here, we unveil that in a multilayered framework of twisted birefringent optical components, a recursive number pattern of Pascal's triangle is naturally embedded in the structure of the Jones matrix which intuitively provide a generalized solution for pixel-to-pixel field transformation. The resulting standalone solution is universal across the electromagnetic spectrum, unifies N-layered metasurface and conventional bulk waveplates in a single framework, offers comprehensive insights about the bidirectional complex amplitude modulation and wavefront engineering in linear and circular polarization bases, and at the same time substantially reduces the computational cost. In essence, the discovery of number patterns in polarization optics/photonics will have broad impact across quantum optics, theory informed artificial intelligence model trainings, biomedical engineering and imaging, polarization information encryption, and advanced sensing applications. Polarization (electrochemistry) ; Wavefront ; Birefringence ; Amplitude ; Electromagnetic field ; Linear polarization ; Circular polarization ; Transformation (genetics) Metamaterials and Metasurfaces Applications ; Advanced Wireless Communication Technologies ; Electromagnetic Scattering and Analysis
Authors: Panpan Guo | Shaoming Wan | Yan Liu | Yixian Wang
Source: Applied Sciences (article, 2026-02-22)
Field: Materials Science — Materials Chemistry

Comparative Analysis of Multiple Algorithms for Predicting High-Velocity Penetration Depth of Ovoid Projectiles in Medium-High-Strength Concrete This paper investigates the prediction of the depth of penetration (DOP) for concrete targets under high-speed projectile impact using multiple simulation algorithms in LS-DYNA. Three numerical methods, i.e., the traditional finite element method (FEM), a fixed-coupling FEM-SPH (Smooth Particle Hydrodynamics) model, and an adaptive coupling FEM-SPH model, are employed to simulate the penetration processes. The computational results are compared against established empirical formulas to evaluate their predictive accuracy and efficiency. The findings indicate a distinct trade-off between numerical precision and computational cost. The adaptive FEM-SPH algorithm achieves the highest accuracy, with a maximum error of less than 10% across considered velocity ranges, and effectively captures cavity expansion effects. The standard FEM algorithm offers the highest computational efficiency, requiring less than half the time of the other methods, albeit with a maximum error of up to 25%. The fixed-coupling FEM-SPH model provides an intermediate solution, showing improved accuracy at velocities above 400 m/s but lower efficiency. This comparative analysis offers a practical guideline for selecting appropriate simulation techniques in protective structure design, balancing the demands for rapid estimation, detailed physical insight, and final safety verification. Projectile ; Finite element method ; Penetration (warfare) ; Penetration depth ; Coupling (piping) High-Velocity Impact and Material Behavior ; Structural Response to Dynamic Loads ; Fluid Dynamics Simulations and Interactions
Authors: Zichen Wu | Dongxin He
Source: Gels (article, 2026-03-26)
Field: Materials Science — Materials Chemistry

Degradation Factors and Mechanisms of Silicone Gel in Power Device Packaging Insulation Under DC Superimposed Pulse Electric Fields Silicone gel packaging for high-voltage power devices suffers severe insulation degradation under complex conditions involving sustained high voltages and steep pulses. DC superimposed pulse electric fields are the primary cause. However, existing research lacks a systematic quantitative analysis of key influencing factors. Motivated by this inadequacy, this study quantified the effects of four core factors via control variable-based electrical tree experiments and revealed the microscopic mechanism through charge vibration experiments. Results indicate that pulse voltage slew rate is the most critical factor, as the impact of altering the pulse voltage slew rate on the parameters of the electrical tree exceeds 200%, while the impacts of altering the superimposed DC amplitude and duty cycle are 49.92% and 77.56%, respectively. Further discussion demonstrates that pulse voltage slew rate reflects the charge dynamic behaviors, while DC amplitude and duty cycle reflect charge static accumulation, with charge dynamic behaviors posing a more significant effect. This work clarifies key control parameters for silicone gel insulation degradation and the intrinsic influence chain from influencing factors to molecular stress, charge dynamic behaviors, electrical tree growth and silicone gel insulation degradation, providing theoretical support and technical guidance for optimizing the design and enhancing the reliability of silicone gel in power electronic devices packaging insulation. Slew rate ; Duty cycle ; Voltage ; Silicone ; Power (physics) ; Pulse-width modulation ; Reliability (semiconductor) ; Amplitude ; Electric field High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Electrostatic Discharge in Electronics
Authors: Sander Heyndrickx | Robbin Bouwmeester | Arthur Declercq | Robbe Devreese | Magnus Palmblad | Wout Bittremieux | Tess AV Afanasyeva | Joel Lapin | Arzu Tugce Guler | Pierre-Olivier Schmit | Christine Carapito | Lennart Martens | Ralf Gabriels
Source: ChemRxiv (article, 2026-04-01)
Field: Chemistry — Spectroscopy

Hardware Software Synergy in Proteomics: Systematic Evaluation Across Mass Spectrometry Platforms, Search Engines, and Rescoring Methods Mass spectrometry-based proteomics has advanced through parallel improvements in hardware (instrumentation) and software (data analysis), yet whether these improvements interact synergistically or provide diminishing returns remains unclear. Here, we systematically evaluate hardware-software co-evolution across eight mass spectrometry platforms, three generations of search engines, and multiple rescoring approaches, yielding 72 unique hardware–software combinations spanning from 2004–2024. Our results reveal that hardware and software improvements produce synergistic rather than substitutive benefits. Here, machine learning-based rescoring consistently identifies peptides from low-intensity precursors that produce noisier, more challenging spectra. Crucially, because of increased sensitivity and speed, modern instruments detect more low-intensity precursors, increasing the population of challenging spectra where rescoring provides the greatest benefit. However, this expanded detection depth comes at a cost: recovered low-abundance peptides exhibit inherently higher quantification error, creating a fundamental trade-off between proteome coverage and quantification accuracy. Together, these findings provide a systematic overview of how hardware and software advances have jointly shaped proteomics performance over the past two decades. Software ; Proteome ; Proteomics ; Population ; Mass spectrometry Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; vaccines and immunoinformatics approaches
Authors: Huixia Jia | Lin Yang | Yu Yang | He Liu | Jia Liu | Chaoqun Shang | Zengru Di | Benzhao He | Ke Zhang
Source: Communications Chemistry (article, 2026-01-29)
Field: Materials Science — Materials Chemistry

Steric confinement-induced emission probe for monitoring protein conformations in live cells Protein conformational changes drive signal transduction to regulate cellular activities, yet monitoring of these changes in living cells remains challenging. Here, we introduce BIOSCE (BIOprobe based on Steric Confinement-induced Emission), a technique that enables tracking of individual protein conformations in living cells across millisecond-to-minute timescales. BIOSCE reports protein conformational changes via steric confinement-induced luminescence switching from non-luminescent to luminescent states. We demonstrate that BIOSCE rapidly senses calmodulin conformational changes triggered by intracellular calcium fluctuations. The BIOSCE platform achieved millisecond-resolution monitoring of single-protein conformations within cellular signaling pathways, as evidenced by its sensitive detection of rapamycin-dependent FKBP (FK506-binding protein)-FRB (FKBP-rapamycin binding) interactions regardless of the labeled partner. Furthermore, we applied BIOSCE to track the spatial distribution of SNAP25 (25 kDa synaptosomal nerve-associated protein) during botulinum neurotoxin A (BoNT/A) intoxication, revealing differential catalytic processing of its cleavage fragments. This generalizable approach provides a robust platform for investigating single-molecule conformational changes with high spatiotemporal resolution and enables direct evaluation of transient cellular events. Steric effects ; Calmodulin ; Protein folding ; Signal transduction ; Cleavage (geology) ; Conformational change ; Signaling proteins ; Intracellular ; Plasma protein binding ; Protein structure Luminescence and Fluorescent Materials ; Carbon and Quantum Dots Applications ; Biotin and Related Studies
Authors: Somar Shekh Alshabab | Zhao Wu | Bernd Markert | Franz Bamer
Source: PAMM (article, 2026-01-18)
Field: Materials Science — Materials Chemistry

Predicting Plastic Activity in Disordered Solids via Geometric Measures ABSTRACT Unlike their crystalline counterparts, glasses have a complex structure that lacks any long‐range order, resulting in the system possessing a large number of metastable states. The system transitions between these metastable states, giving rise to a complex mechanical response when subjected to mechanical deformation. These transitions manifest as localized atomic rearrangements, also known as plastic events. It has been postulated that certain regions that are prone to rearrangements can be identified in the stress‐free configuration. Efforts to predict these regions have employed a wide range of methods, from computationally expensive local mechanical simulations to data‐intensive machine learning techniques that require large training datasets. In contrast, we propose the use of the fabric tensor as a simple, geometry‐based predictor for soft spots. The fabric tensor relies solely on atomic positions to characterize bond directionality within the system. We demonstrate a strong correlation between certain features of the fabric tensor and soft spots in two‐dimensional silica samples generated using the Monte Carlo bond‐switching algorithm and subjected to tension under athermal quasistatic conditions. These results show that a purely geometrical measure can effectively predict soft spots in disordered solids, independent of the underlying potential energy landscape. Quasistatic process ; Metastability ; Tensor (intrinsic definition) ; Measure (data warehouse) ; Tension (geology) ; Monte Carlo method Material Dynamics and Properties ; Glass properties and applications ; Theoretical and Computational Physics
Authors: Stefania-Renata Stepanov | V. Chis
Source: Photochem (article, 2026-04-09)
Field: Materials Science — Materials Chemistry

Substituent Effects on the Photophysical Properties of Neutral and Anionic Seminaphthofluorones: A Computational Study Seminaphtofluorones (SNAFRs) are a family of benzannulated xanthene dyes that exhibit strong fluorescence in both neutral and anionic states and can reach emission wavelengths in the deep-red to near-infrared region. Their optical response is highly sensitive to regioisomerism and functionalization, making them attractive candidates for systematic structure–property investigations. Here, we computed the photophysical properties of six SNAFR regioisomers for both neutral and anionic species and correlate the calculated results with available experimental data. From the six dyes, we further chose two of them, SNAFR4 and SNAFR6, to further investigate how phenyl-ring functionalization modulates SNAFR properties by introducing methyl (–CH3) and carboxyl (–COOH) substituents at the ortho (o), meta (m), and para (p) positions. The calculations indicate that substitution induces measurable changes in geometries, as well as in excitation and emission energies, with particularly pronounced effects for the anionic derivatives. Overall, these results provide a computational framework for the rational tuning of SNAFRs’ optical properties and the design of derivatives with tailored optical characteristics for fluorescence imaging and applications in photodynamic therapy. Substituent ; Fluorescence ; Xanthene ; Structural isomer ; Excitation ; Rational design ; Excitation wavelength ; Substitution (logic) Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Photochemistry and Electron Transfer Studies
Authors: Binghui Li | Kaifei Wang | Han Zhong | Pinyan Lu | Liwei Wang
Source: ArXiv.org (article, 2026-02-05)
Field: Materials Science — Materials Chemistry

Muon in Associative Memory Learning: Training Dynamics and Scaling Laws Muon updates matrix parameters via the matrix sign of the gradient and has shown strong empirical gains, yet its dynamics and scaling behavior remain unclear in theory. We study Muon in a linear associative memory model with softmax retrieval and a hierarchical frequency spectrum over query-answer pairs, with and without label noise. In this setting, we show that Gradient Descent (GD) learns frequency components at highly imbalanced rates, leading to slow convergence bottlenecked by low-frequency components. In contrast, the Muon optimizer mitigates this imbalance, leading to faster and more uniform progress. Specifically, in the noiseless case, Muon achieves an exponential speedup over GD; in the noisy case with a power-decay frequency spectrum, we derive Muon's optimization scaling law and demonstrate its superior scaling efficiency over GD. Furthermore, we show that Muon can be interpreted as an implicit matrix preconditioner arising from adaptive task alignment and block-symmetric gradient structure. In contrast, the preconditioner with coordinate-wise sign operator could match Muon under oracle access to unknown task representations, which is infeasible for SignGD in practice. Experiments on synthetic long-tail classification and LLaMA-style pre-training corroborate the theory. Muon ; Speedup ; Gradient descent ; Scaling ; Softmax function ; Content-addressable memory ; Matrix (chemical analysis) ; Operator (biology) Machine Learning in Materials Science ; Ferroelectric and Negative Capacitance Devices ; Stochastic Gradient Optimization Techniques