jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ângela Vieira | Amanda Priscila Silva Nascimento | Maria Zélia Branco | Paula Martins-Lopes | José Eduardo Eiras-Dias | João Brazão | L.M.M. Ferreira | Nelson Machado | Ana Novo Barros
Source: Molecules (article, 2026-03-17)
Field: Chemistry — Analytical Chemistry

FTIR-ATR Spectroscopy and Chemometrics for Varietal Screening of PDO Douro Monovarietal Wines: An Exploratory Feasibility Study The authentication of wines with Protected Designation of Origin (PDO) status is a key requirement for quality assurance, traceability, and consumer trust, particularly in traditional wine-producing regions such as the Douro Demarcated Region (Portugal). Among the certification criteria, the reliable identification of grape varieties remains technically challenging, especially when rapid and non-destructive analytical approaches are required. In this study, Fourier-transform infrared spectroscopy coupled with chemometric analysis was evaluated as a rapid screening approach for the differentiation of monovarietal Douro wines produced under standardized microvinification conditions. Twenty-one monovarietal wines were analyzed using mid-infrared spectra (1800-1000 cm<sup>-1</sup>) and classification models were developed using Partial Least Squares Discriminant Analysis (PLS-DA). The PLS-DA models showed preliminary discriminatory capacity, with apparent error rates of 10.2% for calibration and 19.3% under leave-one-out cross-validation. The results indicate that FTIR-ATR spectroscopy combined with chemometrics captures chemically relevant spectral variability associated with grape varietal differences and shows potential as a rapid exploratory screening approach within PDO traceability frameworks. Although the study is based on a limited number of biological replicates from a single vintage and sub-region, the findings provide a methodological baseline for future multi-vintage and multi-region investigations aimed at consolidating FTIR-based approaches for varietal authentication of Douro wines. Chemometrics ; Partial least squares regression ; Linear discriminant analysis ; Calibration ; Traceability ; Wine ; Spectroradiometer ; Vintage Spectroscopy and Chemometric Analyses ; Fermentation and Sensory Analysis ; Edible Oils Quality and Analysis
Authors: Winnie Uritboonthai | Aries Aisporna | Linh Hoang | Bill D. Webb | Elizabeth Mary Billings | Corey Hoang | Mirna Tobea | Chelsea C. Cates-Gatto | Amanda J. Roberts | Tony Teav | Rébecca Borreggine | Ioana Kyritsi | Hector Gallart-Ayala | Julijana Ivanisevic | A.M. Popova | James R. Williamson | Robert S. Plumb | Gary Siuzdak
Source: Analytical Chemistry (article, 2026-03-17)
Field: Materials Science — Materials Chemistry

Untargeted Multiple Reaction Monitoring Multiple reaction monitoring (MRM) enables robust and sensitive quantification but traditionally requires predefined precursor-fragment transitions, limiting its use in discovery-driven studies. Here, we describe untargeted/micro/universal multiple reaction monitoring (uMRM), a workflow that converts high-resolution untargeted liquid chromatography-mass spectrometry/MS (LC-MS/MS) data into scheduled triple-quadrupole MRM transitions. Pooled-sample LC-MS and stepped-energy DDA MS/MS acquisitions (0, 10, 20, and 40 eV) are used to capture precursor and fragment information representative of each experimental set. Detected features undergo automated deisotoping and empirically validated in-source fragment filtering, followed by spline-based modeling of collision-energy-dependent fragmentation to define optimized precursor-fragment transitions. Transitions are scheduled using retention times observed in pooled samples and deployed on triple-quadrupole instruments without requiring nonlinear retention-time alignment or authentic standards. Across representative biological matrices, including urine, brain tissue, and cultured cells, uMRM enabled automated generation of quantitative MRM methods from untargeted discovery data. Benchmarking across seven triple-quadrupole platforms demonstrated strong agreement between uMRM-derived and experimentally optimized collision energies. By converting discovery-scale data sets into compact transition tables suitable for quantitative deployment, uMRM provides a reproducible approach for linking untargeted LC-MS/MS acquisition with targeted quantitation. Limiting ; Workflow ; Selected reaction monitoring ; Fragment (logic) ; Fragmentation (computing) ; Benchmarking Thermal and Kinetic Analysis ; Chemical Safety and Risk Management ; Nuclear Engineering Thermal-Hydraulics
Authors: Sicong Wang | Juliang Bao | Jingjing Chen | Samantha R. Santacruz | Jonathan B. Estrada | Donglei (Emma) Fan | Jie Yang
Source: Research Square (preprint, 2026-02-11)
Field: Materials Science — Materials Chemistry

Experimental characterization of high-strain-rate viscoelastic and damage behavior in anisotropic soft materials using laser-induced inertial cavitation Viscoelasticity ; Rheometry ; Cavitation ; Anisotropy ; Bubble ; Quasistatic process ; Characterization (materials science) ; Strain rate ; Inertial frame of reference ; Solid mechanics Ultrasound and Cavitation Phenomena ; Ultrasound and Hyperthermia Applications ; Soft Robotics and Applications
Authors: Mohsen Azadbakht | Mohammad Vahedi Torshizi | Alireza Sabaghi Khatunabadi | Farimah karimzadeh viyarsagh | Feryal Varasteh Akbarpour
Source: Food Science & Nutrition (article, 2026-02-01)
Field: Materials Science — Biomaterials

Postharvest Preservation of Red Apples Using Edible Coatings and Packaging Limited comparative evidence exists on how polyamine-based edible coatings, in combination with various packaging systems, simultaneously influence the physical stability and biochemical quality of "Red Delicious" apples during storage. In this study, the effects of edible coatings (spermidine, putrescine, and chitosan) and packaging methods (unpacked, plastic film, and zipper bags) on physical properties (length, thickness, geometric mean diameter, weight, and surface area) and chemical attributes (pH, total soluble solids, total phenolics, flavonoids, and antioxidant activity) were evaluated. ANOVA results indicated that both coatings and packaging significantly influenced apple quality during storage, whereas their interaction effects were generally negligible. Packaging played a more critical role in maintaining dimensional stability, while coatings-particularly spermidine-were more effective at reducing weight loss and geometric alterations. Conversely, coatings significantly preserved phenolic compounds and antioxidant activity, whereas packaging exerted a stronger influence on pH and total soluble solids. Among the packaging treatments, zipper bags demonstrated the best performance in minimizing moisture loss and preserving dimensional integrity. Spermidine coating, on the other hand, showed the greatest efficacy in maintaining both chemical and physical quality attributes. Overall, the combination of spermidine coating and zipper bag packaging is recommended as an efficient and cost-effective postharvest strategy. This approach not only reduces postharvest losses and extends shelf life but also preserves the nutritional and market value of apples, offering substantial economic and export benefits for the horticultural industry. These findings provide actionable guidance for postharvest management and highlight the potential of integrated coating-packaging interventions to reduce losses and enhance value in fruit supply chains. Postharvest ; Shelf life ; Moisture ; Food packaging ; Modified atmosphere ; Antioxidant capacity ; Food quality Nanocomposite Films for Food Packaging ; Postharvest Quality and Shelf Life Management ; Polymer Science and PVC
Authors: Songlin Liu
Source: Textile & Leather Review (article, 2026-02-28)
Field: Materials Science — Surfaces, Coatings and Films

Research on Visualization of Fiber Surface Modification and Fabric Properties Based on Interactive Animation Understanding the complex process-structure-property relationships in textile finishing is critical for education and preliminary process screening. This study presents a novel interactive visualization framework to elucidate the dynamic effects of Glow Discharge Plasma (GDP) treatment on the wicking trends of Polyethylene Terephthalate (PET) fabrics. A semi-empirical computational model is developed to simulate the kinetic evolution of surface modification, coupling plasma-induced chemical hydrophilization with physical etching-induced roughness. Crucially, the model integrates a Wenzel-state wetting mechanism, linking nanoscale topographical changes to macroscopic fluid transport. Instead of aiming for absolute engineering predictions, the simulation outputs a Normalized Capillary Uptake Index (H_vis), allowing users to intuitively compare the relative acceleration of wicking kinetics under varying power and time scenarios. The integrated tool visualizes these trends in real-time through 3D fiber surface rendering and 2D wicking animation. This framework serves as a powerful educational and exploratory tool, offering students and engineers a platform to understand the fundamental non-linear dynamics of surface finishing without the complexity of high-fidelity multiphysics simulations. Multiphysics ; Visualization ; Bridging (networking) ; Animation ; Wetting ; Data visualization ; Polyethylene terephthalate ; Capillary action Surface Modification and Superhydrophobicity ; Advanced Cellulose Research Studies ; Textile materials and evaluations
Authors: Chun-Chun Hung | Menghui Wang | Shiue-Der Lu | Cheng-Chien Kuo
Source: Processes (article, 2026-01-23)
Field: Materials Science — Materials Chemistry

Diagnosis of Partial Discharge in High-Voltage Potential Transformers Using 2D Scatter Plots with Residual Neural Networks This study aims to propose a fault diagnosis method for partial discharge (PD) in high-voltage (HV) potential transformers (PTs) by combining discrete wavelet transform (DWT), scatter plot (SP), and a residual neural network (ResNet) deep learning model for feature extraction and classification. First, models of HV PTs under normal conditions and three internal fault types were established, including coil eccentricity, voids between the primary winding and the core, and voids between the primary and secondary windings. After measuring the PD signals, DWT filtering was applied to process the signals, and the filtered PD signals, together with the fundamental voltage signals, were transformed into an image-based feature SP to represent the characteristics of each fault. Finally, the SPs were trained using the ResNet model to identify four different defect types in HV PTs. Experimental results showed that the proposed method achieves a fault identification accuracy of 98%. Additionally, compared to other deep learning models, the proposed method significantly improves diagnostic efficiency and accuracy. This study also developed an intelligent online fault monitoring and predictive maintenance system for HV PTs to enhance the stability of power grids and equipment. Partial discharge ; Residual ; Artificial neural network ; Pattern recognition (psychology) ; Electromagnetic coil ; Transformer ; Feature extraction ; Fault (geology) ; Voltage High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Electrical Fault Detection and Protection
Authors: Luana Minello | César Aguzzoli | A Pavão Coffani Nunes | Eva Regina Oliveira | Marcelo Maraschin | Roberta Pena da Paschoa | Vanildo Silveira | Raul Antônio Sperotto
Source: Plants (article, 2026-03-03)
Field: Materials Science — Materials Chemistry

Seed Nanopriming with Spirulina-Derived Carbon Dots Enhances Rice (Oryza sativa L.) Germination, Crop Establishment, and Seedling Metabolic Performance Biogenic carbon dots (CDs) are emerging as promising plant biostimulants, yet their effects during early crop establishment remain underexplored. Here, we synthesized and characterized Spirulina-derived CDs and evaluated their efficacy as seed nanopriming agents in rice (<i>Oryza sativa</i> L.). CDs exhibited nanoscale size, abundant surface functionalities, and a highly negative ζ-potential, indicative of stable aqueous dispersions. Spectroscopic characterization (Raman and FTIR) confirmed a graphitic-amorphous carbon structure. Near-infrared spectroscopy coupled to principal component analysis revealed time-dependent metabolic changes during imbibition, identifying 8-12 h as the optimal priming window. Nanopriming with Spirulina CDs (0.2 mg mL<sup>-1</sup> for 12 h) increased the seed germination rate (25%), the germination speed index (17%), vigor index I (22%), and root length (37%) compared to hydropriming. Biochemically, the nanoprimed seedlings accumulated higher levels of starch (24%), total carbohydrates (8%), and total phenolics (20%), without evidence of oxidative imbalance, based on antioxidant capacity measurements and proteomic profiling. Proteomic analysis revealed coordinated metabolic reprogramming, characterized by increased abundance of proteins involved in translation, energy metabolism, and ion/nutrient homeostasis, alongside reduced abundance of proteins associated with defense and catabolic processes. This shift from stress-preparation to growth-oriented metabolism supports improved seedling establishment. Overall, Spirulina-derived CDs function as effective nanobiostimulants that promote early metabolic activation and resource mobilization, offering a sustainable strategy to enhance rice seedling establishment. Seedling ; Germination ; Starch ; Oryza sativa ; Crop ; Metabolic pathway Carbon and Quantum Dots Applications ; Advanced Nanomaterials in Catalysis ; Plant Growth Enhancement Techniques
Authors: Kai Ma | Zehua Jiang | Kaihong Wu | Yongfeng Shen | Zhaodong Wang
Source: Nanomaterials (article, 2026-04-05)
Field: Materials Science — Materials Chemistry

Nanoscale α Phase Enables Excellent Strength–Ductility Balance in TC21 Titanium Alloy The limited ductility of conventional titanium alloys significantly limits their application in critical load-bearing components. To overcome this limitation, a Ti-6Al-2Mo-2Nb-2Zr-2Sn titanium alloy (TC21) was subjected to warm rolling at 500 and 600 °C and aging treatment. Subsequently, microstructural characterization was conducted using scanning electron microscopy, electron backscatter diffraction and transmission electron microscopy, while the mechanical properties were tested by uniaxial tensile tests and nanoindentation tests. The sample warm rolled at 600 °C exhibited an optimal combination of strength and ductility, with an ultrahigh yield strength of 1138 MPa and an elongation-to-fracture of 7.3%. Aging treatment further enhanced the yield strength to 1263 MPa, while retaining a good ductility of 9.6%. The improved mechanical properties are mainly associated with the formation of nanoscale secondary α phase (αs) lamellae caused by the aging treatment. Interface strengthening is identified as the primary strengthening mechanism. In particular, the optimal volume fraction and decreasing texture intensity of the soft phase contribute to the enhanced ductility. This work provides a method for viable thermo-mechanical processing for achieving an excellent strength–ductility combination in titanium alloys. Nanoindentation ; Ductility (Earth science) ; Titanium alloy ; Ultimate tensile strength ; Electron backscatter diffraction ; Titanium ; Nanoscopic scale ; Volume fraction ; Alloy Titanium Alloys Microstructure and Properties ; Magnesium Alloys: Properties and Applications ; Microstructure and mechanical properties
Authors: Kryštof Březina | Yair Litman | Mariana Rossi
Source: ACS Nano (article, 2026-02-09)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Tip-Enhanced Raman Images of Realistic Systems through Ab Initio Modeling Tip-enhanced Raman spectroscopy (TERS) is a powerful method for imaging vibrational motion and chemically characterizing surface-bound systems. Theoretical simulations of TERS images often consider systems in isolation, ignoring any substrate support, such as metallic surfaces. Here, we show that this omission leads to deviations from experimentally measured data, as demonstrated by simulations with a new finite-field periodic formulation of first-principles simulation of TERS spectra that can address extended systems. We show that TERS images of defective MoS<sub>2</sub> monolayers calculated using cluster models are qualitatively different from those calculated when accounting for the periodicity of the substrate. For Mg(II)-porphine on Ag(100), a system for which a direct experimental comparison is possible, these simulations prove to be crucial for explaining the spatial variation of TERS intensity patterns and allow us to uncover fundamental principles of TERS spectroscopy. We explain how and why surface interactions affect images of out-of-plane vibrational modes much more strongly than those of in-plane modes, thereby providing an important tool for the future interpretation of these images in more complex systems. Raman spectroscopy ; Cluster (spacecraft) ; Ab initio quantum chemistry methods ; Ab initio ; Monolayer ; Interpretation (philosophy) ; Intensity (physics) ; Motion (physics) Gold and Silver Nanoparticles Synthesis and Applications ; Spectroscopy Techniques in Biomedical and Chemical Research ; Optical Polarization and Ellipsometry
Authors: Mohammed Arroussi | Ihsan ulhaq Toor | Wenlong Ma | Afaque Shams | Khaled S. Al-Athel
Source: Discover Bacteria. (article, 2026-02-15)
Field: Materials Science — Materials Chemistry

Advances in understanding microbial corrosion of oil pipelines Many energy production and exploration facilities in the petroleum industry are susceptible to the microbial attachment and biofilm formation. Microorganisms within biofilm are a big threat to the integrity and durability of structural metallic materials in oilfield. The major concern addressed in this review is microbiologically influenced corrosion (MIC) of metals in the petroleum industry. The paper comprehensively reviewed MIC of metallic materials in the petroleum industry, mechanisms of the various types of microbes implicated in failure of oil pipelines as well pipeline-specific corrosion conditions relevant to biofilm and MIC. Under-deposit-microbiologically influenced corrosion (UD-MIC) and stress corrosion cracking (SCC) assisted-MIC of pipeline were discussed in full details. The current biofilm treatment strategies were also elaborated for suitable oil pipeline operation. The content herein is important for oil companies, research institutions, and professionals in energy sector who are increasingly concerned about the biofilm and microbial activity. This work aims to highlight the danger of biofilm, and its impact on corrosion of metals, crude oil quality and safety assessment in the oilfield. Corrosion ; Pipeline transport ; Petroleum ; Biofilm ; Stress corrosion cracking ; Petroleum industry ; Energy source Corrosion Behavior and Inhibition ; Structural Integrity and Reliability Analysis ; Hydrogen embrittlement and corrosion behaviors in metals
Authors: Jiayue Han | Fakun Wang | Chunyu Li | Wenjie Deng | Shi Zhang | Libo Zhang | Fangchen Hu | Zhen Wang | HongXi Zhou | He Yu | Jun Gou | Zheng Wu | Zhiming Wang | Yadong Jiang | Qi Jie Wang | Yì Wáng
Source: Nature Communications (article, 2026-04-09)
Field: Materials Science — Materials Chemistry

Polarization Photovoltage Transistor enabling Amplified Responsivity and Sensitivity With the rapid advancement of multi-dimensional detection, there is an urgent demand for next-generation polarization detectors capable of achieving high responsivity, fast speed, and strong polarization sensitivity, metrics that are typically limited by fundamental trade-offs. Two-dimensional (2D) materials offer a promising platform, yet their weak intrinsic anisotropy constrains polarization ratio (PR) and overall device performance. Here, we report a mid-infrared (MIR) polarization photovoltage field-effect transistor (PPFET) based on black phosphorus/molybdenum disulfide (BP/MoS<sub>2</sub>) heterostructures that combines polarization detection and amplification within a single architecture. By exploiting gate-tunable transconductance in the linear amplification region, the device achieves a PR up to 510 via a "stretching" mechanism, while maintaining a polarization angle sensitivity (PAS) up to ~46.57 mA/(W·degree) and response times down to ~0.8 μs under 3.5 μm illumination. This combination of high polarization sensitivity, responsivity, and speed establishes PPFETs as a powerful platform for high-performance MIR polarization detection and paves the way for compact, high-precision imaging systems. Polarization (electrochemistry) ; Transistor ; Detector ; Polarization rotator ; Transconductance ; Responsivity ; Linearity 2D Materials and Applications ; Optical Polarization and Ellipsometry ; Photorefractive and Nonlinear Optics
Authors: Andrea Marangon | Elisa Calà | Alessandro Bessi | Alessandro Croce | Enrico Avattaneo | Eleonora Cara | Giorgio Gatti
Source: Fibers (article, 2026-03-20)
Field: Materials Science — Polymers and Plastics

Hydrothermal Extraction and Characterization of Cellulose Fibers from Bamboo Moso (Phyllostachys edulis) Culms In recent years, there has been a notable increase in commercial demand for natural fibers. Consequently, numerous studies have concentrated on formulating innovative industrial production methodologies for natural fibers, with a particular emphasis on the environmental sustainability of production processes. Among natural fiber sources, bamboo has emerged as a leading candidate, attracting considerable interest due to its exceptional renewability, rapid growth, and low cultivation requirements. The contemporary industrial methodologies employed in the extraction of cellulose from bamboo frequently entail the utilization of concentrated solutions of strong acids and bases, often at elevated temperatures and with extended treatment durations. These processes generate highly polluting waste from mineral acids and bases, posing significant environmental challenges and ecosystem damage. In response to the prevailing concerns, there has been a marked increase in the focus on environmentally friendly techniques that combine enzymatic treatments, selective chemical reagents, and optimized mechanical processes. These processes facilitate the extraction of high-quality bamboo fibers, which are suitable for utilization in the textile industry and have the potential to replace synthetic fibers. This work demonstrates the efficacy of methodologies employing more diluted solutions than conventional approaches. Specifically, this study utilizes a weak base, such as NH4OH, in conjunction with hydrothermal extraction. It is therefore possible for dilute weak base solutions to yield natural fibers after a relatively brief period of processing, typically just a few hours. Bamboo ; Cellulose ; Extraction (chemistry) ; Environmentally friendly ; Textile ; Sustainability ; Textile industry ; Natural fiber ; Raw material Natural Fiber Reinforced Composites ; Advanced Cellulose Research Studies ; Bamboo properties and applications