jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Carlo Silvestri | Aleksandar D. Rakić | Dragan Indjin | Ali Khalatpour | Christian Jirauschek | Aleksandar Demić | Zoran Ikonic | P. Dean | Nikola Vuković | J. Radovanović | Lianhe Li | Edmund Linfield | Michael Jaidl | Karl Unterrainer | Giacomo Scalari | Jérôme Faist | Lorenzo Columbo | Massimo Brambilla | Marco Piccardo | Sukhdeep Dhillon | Mithun Roy | David Burghoff | Karl Bertling | Jari Torniainen | Xiaoqiong Qi | Thomas Taimre | Olivier Spitz | Frédéric Grillot | Marilena Giglio | Angelo Sampaolo | Pietro Patimisco | Vincenzo Spagnolo | Eva A. A. Pogna | Xiao Guo | Rainer Hillenbrand | Mengkun Liu | Michael Brünig | Adrian Cernescu | Alexander A. Govyadinov | Tecla Gabbrielli | Jacopo Pelini | Irene La Penna | Alessia Sorgi | Paolo De Natale | Davide Mazzotti | Iacopo Galli | Luigi Consolino | Francesco Cappelli | Simone Borri
Source: arXiv (Cornell University) (article, 2026-02-19)
Field: Chemistry — Spectroscopy

Quantum cascade laser roadmap Quantum cascade lasers (QCLs) are unipolar semiconductor lasers first demonstrated in 1994. Since then, they have played a central role in advancing mid-infrared and terahertz photonics, becoming among the most reliable light sources in these regions of the electromagnetic spectrum. Their importance is further reinforced by their ability to generate self-starting optical frequency combs, whose investigation is motivated both by fundamental physics and by a wide range of applications, including molecular spectroscopy and free-space optical communications. This Roadmap provides a unified overview of current advances and emerging directions in QCL research. The chapters are organized into three main sections: device design and technology; frequency combs and pulse formation; and applications of QCLs. Each chapter reviews the relevant background, summarizes the current state of the art, and identifies key challenges and future directions within its specific research area. Terahertz radiation ; Cascade ; Laser ; Quantum cascade laser ; Quantum ; Semiconductor laser theory ; Key (lock) ; Terahertz spectroscopy and technology ; Photonics Spectroscopy and Laser Applications ; Semiconductor Lasers and Optical Devices ; Advanced Fiber Laser Technologies
Authors: Meryem Taskaya | Rikuto Akiyama | Mai Kanetsuna | Murat Yiğit | Yvan Llave | Takashi Matsumoto
Source: AgriEngineering (article, 2026-01-08)
Field: Chemistry — Analytical Chemistry

Identification of the Geographical Origins of Matcha Using Three Spectroscopic Methods and Machine Learning For high-value-added products such as matcha, scientific confirmation of the origin is essential for quality assurance and fraud prevention. In this study, three nondestructive analytical techniques, specifically fluorescence (FF), near-infrared (NIR), and Fourier transform infrared (FT-IR) spectroscopy, were combined with machine learning algorithms to accurately identify the origin of Japanese matcha. FF data were analyzed using convolutional neural networks (CNNs), whereas NIR and FT-IR spectral data were analyzed using k-nearest neighbors (KNNs), random forest (RF), logistic regression (LR), and support vector machine (SVM) models. The FT-IR–RF model demonstrated the highest accuracy (99.0%), followed by the NIR–KNN (98.7%) and FF–CNN (95.7%) models. Functional group absorption in FT-IR, moisture and carbohydrates in NIR, and amino acid and polyphenol fluorescence in FF contributed to the identification. These findings indicate that the selection of an algorithm appropriate for the characteristics of the spectroscopic data is effective for improving accuracy. This method can quickly and nondestructively identify the origin of matcha and is expected to be applicable to other teas and agricultural products. This new approach contributes to the verification of the authenticity of food and improvement in its traceability. Support vector machine ; Random forest ; Identification (biology) ; Convolutional neural network ; Artificial neural network ; Pattern recognition (psychology) ; Representation (politics) ; Relevance vector machine Spectroscopy and Chemometric Analyses ; Tea Polyphenols and Effects ; Isotope Analysis in Ecology
Authors: Nodirjon Tursunov | Azizjon Saidirakhimov
Source: Material and Mechanical Engineering Technology (article, 2026-03-31)
Field: Materials Science — Materials Chemistry

Research of the Influence of Chemical Composition on the Mechanical Characteristics of Cast Parts for Freight Car Bogies This article presents the main factors influencing the mechanical properties of steel. The influence of the main chemical elements in the composition of steel on mechanical properties is shown and their role in obtaining a high complex of operational characteristics is explained. Laboratory data on chemical composition and mechanical properties of steel were analyzed. The possible effects of chemical elements on the formation of the non-metallic inclusions and microstructure are considered. Steel grade 20GL must possess high strength, plasticity, and impact toughness, which are crucial for cast parts of freight cars. In railway transport, the side frame and overhead beam are considered critical components are cast from 20GL grade steel. Improving the mechanical properties of this steel is the main task Bogie ; Chemical composition ; Microstructure ; Beam (structure) ; Steel frame Material Properties and Failure Mechanisms ; Diverse Industrial Engineering Technologies ; Material Properties and Applications
Authors: Phasawat Chaiwutthinan | Amnouy Larpkasemsuk
Source: Research Square (preprint, 2026-01-21)
Field: Materials Science — Polymers and Plastics

Thermomechanical recycling of post-consumer poly(ethylene terephthalate) bottles and post-industrial polyamide 6 fishing nets reinforced with organo- modified montmorillonite Montmorillonite ; Polyamide ; Ultimate tensile strength ; Nanocomposite ; Scanning electron microscope ; Plastics extrusion ; Izod impact strength test ; Transmission electron microscopy ; Melt flow index Polymer crystallization and properties ; Polymer Nanocomposites and Properties ; biodegradable polymer synthesis and properties
Authors: Mohamed El Hebri Rahmouni | Andrei Agafonov | Faye Greaves | Nayely Pineda-Romero | Matthew D. Witman | Vitalie Stavila | Claudia Zlotea
Source: ACS Omega (article, 2026-03-06)
Field: Materials Science — Materials Chemistry

Enhancing Room-Temperature Hydrogen Storage Properties in Ti–V–Cr–Nb–Mo/Fe Multielement Alloys via Substitutional Tuning Building upon previously reported high-entropy alloys (HEA) in the Ti-V-Cr-Nb-Mo/Fe compositional space, this study presents a novel <i>bcc</i> alloy containing 6 at. % of the earth-abundant element Fe, exhibiting enhanced hydrogen storage properties at room temperature (25 °C). The optimized <i>bcc</i> Ti<sub>23</sub>V<sub>30</sub>Nb<sub>10</sub>Cr<sub>31</sub>Fe<sub>6</sub> alloy rapidly absorbs hydrogen at room temperature with a maximum gravimetric capacity of 3.4 wt % and an enthalpy of hydride formation of -34 kJ/mol H<sub>2</sub>. This value is among the lowest reported to date for <i>bcc</i> HEAs. The reversible capacity of this alloy remains stable at 2.0 wt % upon 20 absorption/desorption cycles at room temperature, which is among the highest reported values for this material class. Collectively, these advances highlight the potential of Fe-containing multielement alloys as efficient and economical candidates for next-generation hydrogen storage systems. Hydrogen ; Hydrogen storage ; Work (physics) ; Analytical Chemistry (journal) Hydrogen Storage and Materials ; Hydrogen embrittlement and corrosion behaviors in metals ; Electrocatalysts for Energy Conversion
Authors: Romain Chèvre | Colan E. Hughes | Samuel F. Cousin | Marie Juramy | Fabio Ziarelli | Stéphane Viel | Kenneth D. M. Harris | Giulia Mollica | Pierre Thureau
Source: Crystal Growth & Design (article, 2026-01-21)
Field: Chemistry — Spectroscopy

New Insights into the Structural Properties of Calcium Carbonate Hemihydrate by NMR Crystallography While calcium carbonate is well known to exist in a range of different crystalline forms, including anhydrous polymorphs and hydrated phases, a new crystalline form─calcium carbonate hemihydrate (CCHH)─was reported in 2019 and has recently been observed in a biogenic material. The crystal structure of CCHH reported from diffraction studies is monoclinic, although a subsequent computational investigation suggested that an orthorhombic description of the structure may be more appropriate. Herein, we report experimental solid-state NMR characterization of CCHH, focused on solid-state 1H NMR and 13C NMR measurements, including analysis of 1H–13C heteronuclear correlation spectroscopy (HETCOR) and 13C chemical shift anisotropy (CSA) data, which reveals further insights into the structural and symmetry properties of this material. We demonstrate by means of DFT-GIPAW calculations that the monoclinic and orthorhombic descriptions of the crystal structure of CCHH are readily distinguishable on the basis of solid-state 1H and 13C NMR data. Our experimental solid-state NMR measurements are shown to support the orthorhombic description of the crystal structure rather than the monoclinic description. Monoclinic crystal system ; Orthorhombic crystal system ; Crystal structure ; Heteronuclear molecule ; Nuclear magnetic resonance crystallography ; Nuclear magnetic resonance spectroscopy ; X-ray crystallography ; Carbon-13 NMR Advanced NMR Techniques and Applications ; NMR spectroscopy and applications ; Calcium Carbonate Crystallization and Inhibition
Authors: V M Gobinath | K. Annamalai | A Kathirvel
Source: HKIE Transactions (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

A review of the different aspects, theories, and recent developments in the electropolishing of stainless steel Electropolishing is a surface finishing process, widely used in industry to provide clean, smooth, and corrosion-resistant surfaces on metal and alloys, especially steel. The general mechanism of electropolishing is discussed in this review paper followed by different theories proposed to explain the process starting from viscous theory to the most recently developed oxidation–dissolution theory. Since this process involves chemical and electricity reactions, it is quite complicated to understand using the existing theories. The effect of different factors like electrolyte types, processing time, operating voltages, etc. on the electropolishing of stainless steel is also discussed in detail. The most recent developments in electropolishing techniques like magneto electropolishing and electropolishing of additively manufactured steel components are also reviewed in this paper. All the techniques are compared with the classic electropolishing technique with respect to their processing conditions and output on the steel surface. Finally, the limitations and future perspectives of the currently available techniques are also discussed. Electropolishing ; Electrolyte ; Surface finishing ; Process (computing) ; Corrosion Anodic Oxide Films and Nanostructures ; Advanced Machining and Optimization Techniques ; Electrodeposition and Electroless Coatings
Authors: Saptashwa Chakraborty | Kyle Minder | Anthony Robert Prudden | Geert-Jan Boons
Source: Journal of the American Chemical Society (article, 2026-03-06)
Field: Chemistry — Organic Chemistry

An Automation Platform for the Chemoenzymatic Synthesis of Complex Sulfated and Branched Glycans Diverse collections of well-defined glycans are needed to investigate the molecular mechanisms by which these biomolecules mediate biological and disease processes. Several automation approaches have been introduced to accelerate the enzymatic synthesis of complex glycans. These methodologies have, however, provided only relatively simple oligosaccharides due to limitations of glycosyl transferase selectivity. Here, we describe an automation platform that makes it possible, for the first time, to prepare in an automated fashion sulfated polylactosamines and asymmetric multiantennary complex <i>N</i>-glycans via sequential enzymatic and chemical reaction cycles. It integrates glycosyltransferase catalyzed glycosylations, the use of the unnatural sugar nucleotide donor 5'-diphosphate-2-deoxy-2-trifluoro-<i>N</i>-acetamido-glucose (UDP-GlcNHTFA), and chemical manipulations including base-mediated trifluoroacetamido (TFA) removal, azido transfer and azido reduction, <i>tert</i>-butyloxycarbonyl (Boc) protection, acid mediated deprotection, and amine acylation. The latter transformations are important for <i>stop-and-go</i> chemoenzymatic synthetic strategies in which unnatural monosaccharides are introduced to temporarily disable specific sites from enzymatic modification. It is shown that, due to the modular architecture of glycans, a limited number of glycosyl transferases can provide access to large numbers of structurally diverse glycans. In this study, only 11 recombinant human glycosyl- and sulfo transferases were employed to prepare highly complex glycans. Removal of the Nap tag can be performed by hydrogenation to give oligosaccharides that are ready for microarray printing or bioconjugation. Glycan ; Nucleotide sugar ; Glycosyltransferase ; Monosaccharide ; Glycosyl ; Biomolecule ; Glycosylation ; Sulfation ; Transferase Carbohydrate Chemistry and Synthesis ; Glycosylation and Glycoproteins Research ; Proteoglycans and glycosaminoglycans research
Authors: Mahdi Tavakol | Kislon Voïtchovsky
Source: Physical Chemistry Chemical Physics (article, 2026-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Comparative molecular dynamics simulations of charged solid–liquid interfaces with different water models Aqueous solid-liquid interfaces (SLIs) are ubiquitous in nature and technology, often hosting molecular-level processes with macroscopic consequences. Molecular dynamics (MD) simulations offer a tool of choice to investigate interfacial phenomena with atomistic precision, but there exists a large number of water models, each optimised for a different purpose. Here we compare the ability of common water models to accurately simulate the interface between a charged silica surface and an aqueous solution containing NaCl. We first compare the bulk dielectric constant of water and its dependence on salt concentration for SPC/Fw, SPC/e, TIPS3p, H<sub>2</sub>O/DC, TIP3P-Fw, OPC3, TIP3P, TIP3P-FB, TIP3P-ST, FBA/e, and TIPS3p-PPPM, revealing large variations between models. Simulating the interface with silica for the most suitable water models (SPC/Fw, H<sub>2</sub>O/DC, TIP3-ST and TIPS3p-PPPM) shows some intrinsic consistency with continuum predictions (Poisson-Boltzmann) whereby the free energy minima obtained from MD simulations and the analytical model are in agreement, provided the latter includes the MD-determined total charge of ions in the Stern layer and dielectric constant. This consistency stands even for water models with a dielectric constant off by 100%. For salt concentrations higher than 0.21 M NaCl, the formation of random ion-ion pairs limits the reproducibility of the MD results and the applicability of the analytical method. The results highlight the applicability of the analytical model down to the nanoscale, provided <i>a priori</i> knowledge of the Stern layer charge is available. The findings could have significant implications for MD simulations of SLIs, especially at charged or electrified interfaces. Molecular dynamics ; Dielectric ; Water model ; Maxima and minima ; Aqueous solution ; Consistency (knowledge bases) ; Ion ; Electrostatics Electrostatics and Colloid Interactions ; Spectroscopy and Quantum Chemical Studies ; Nanopore and Nanochannel Transport Studies
Authors: Yi Liu | Qian Li | Ruijia Liu | Zheng Wang | Shuna Zhao
Source: Foods (article, 2026-02-16)
Field: Chemistry — Organic Chemistry

Exploring the Multifunctional Roles of Betaine: Traditional Applications, Emerging Technologies, and Green Chemistry Innovations Betaine, a simple natural zwitterion, is currently attracting widespread attention. Although historically labeled as an osmoregulator in agriculture and a methyl donor in animal nutrition, the molecule is now being repositioned at the forefront of green chemistry and materials science due to its unique physicochemical structure. This review critically explores the expanding horizon of betaine applications, bridging the gap between its established biological functions and its emerging roles in recently reported technologies, such as deep eutectic solvents (DESs), cocrystal engineering, and sustainable polymer synthesis. Beyond summarizing its versatile functionality across biomedicine, food science, and industrial formulations, we provide a comprehensive bibliometric analysis to map the evolution of research trends, identifying a clear focus toward industrial ecology and advanced materials. By synthesizing current advancements and discussing potential future directions, this work highlights betaine not merely as a supplement, but as a versatile molecular component with potential applications in sustainable materials and chemical engineering processes. Bridging (networking) ; Green chemistry ; Sustainable agriculture ; Component (thermodynamics) ; Sustainability ; Industrial ecology ; Emerging technologies Synthesis and Characterization of Pyrroles ; Ionic liquids properties and applications ; Carbon dioxide utilization in catalysis
Authors: Sichao Du | Ning Li | Zhufeng Pan | Munir Ali | H. W. Zhang | Duokai Chang | Yuehang Zhang | Qiang Wen | Shuo Zhang | Hao Wu | Yunlei Sun | Qiuting Wang | Hao Xie | Chaohao Chen | Zhenyi Ni | Qiangbing Guo | Duo Xiao | Wen-Yan Yin
Source: arXiv (Cornell University) (article, 2026-03-10)
Field: Materials Science — Materials Chemistry

Interface Engineered Moiré Graphene Superlattices: Breaking the Auger Carrier Multiplication Limit for Infrared Single-Photon Detection Hot electrons undergo Auger scattering during their relaxation process has a multiplication effect,which can generate more electrons above the Fermi level, thus improving the efficiency of photoelectric signal conversion.However,the photo-current gain brought by the Auger carrier multiplication is generally limited with a value less than 5,due to the rapid recombination of photo-generated charge-carriers and the inherently low light absorption of two-dimensional materials.Herein,by twisting graphene to an interlayer angle of 10<sub>o</sub>,we report a layer-dependent electronic correlations leading to an efficient carrier multiplication gain of 10<sup>3</sup>.This is primarily offered by the additional localized density-of-states at interface of the bi-layer 10<sub>o</sub>,moire graphene,and the enhanced interlayer coupling of electron waves in a five-layer moire graphene superlattice structure.Therefore,we can harvest the hot electrons during their energy relaxation through a thermalized optical phonon bottleneck effect.It is this effect that promotes the accumulated hot electrons to achieve a maximum Auger scattering rate ~ 10<sup>10</sup>*ps<sup>-1</sup>*cm<sup>-2</sup>.Furthermore,the ballistic transport of these hot electrons and Schottky barrier from a 90 nm thick silicon-on-insulator (SOI) silicon effectively block the thermal noise,thus leading to a highly sensitive near-infrared detection characteristic.At a low incident light power of ~ 10<sup>-13</sup> W/cm<sup>2</sup>,the resulting signal-to-noise ratio is more than 100 dB.The strengthened electromagnetic interaction from highly thermalized optical phonon in stacked moire graphene is utilized in this work.The hot electron multiplication suggests the applicability of Van der Waals moire superlattice architecture for harvesting charge carriers,thus paving the pathway to design infrared single-photon avalanche detectors. Electron ; Graphene ; Auger effect ; Multiple exciton generation ; Superlattice ; Auger ; Scattering ; Relaxation (psychology) Graphene research and applications ; Thermal Radiation and Cooling Technologies ; 2D Materials and Applications
Authors: Jiae Ryu | Sa Rang Choi | Jae-Kyung Yang | Jung Myoung Lee
Source: Polymers (article, 2026-02-28)
Field: Materials Science — Biomaterials

The Role of Residual Lignin in Microfibrillated Cellulose in Properties of Polylactic Acid Biocomposites Microfibrillated cellulose (MFC) derived from wood sources is a biodegradable and eco-friendly reinforcing material for polymer composites. However, the high polarity of MFC is a challenge in homogeneous distribution into the hydrophobic PLA matrix, which limits its reinforcing efficiency. In this study, lignin-containing MFC (LMFC) with different residual lignin contents was prepared to investigate its dispersion behavior and reinforcing effect in polylactic acid (PLA). The aspect ratio and neutral sugar composition of LMFC remained similar regardless of lignin content, whereas the dispersion degree in PLA, quantified using a log-normal distribution model, increased from 24.2% to 35.1% with increasing lignin content. Mechanical testing showed that LMFC incorporation enhanced tensile strength and elastic modulus while reducing elongation at break. Higher residual lignin content in LMFC positively affected the tensile strength of the LMFC-PLA composites. Dynamic mechanical analysis revealed an increase in storage modulus and a decrease in loss factor with higher lignin content and LMFC loading (1-10 wt%), indicating enhanced interfacial interactions. Differential scanning calorimetry showed reductions in glass transition temperature (5-8 °C) and cold crystallization temperature (8-16 °C) compared to neat PLA. These findings indicate that residual lignin in LMFC enhances dispersion and interfacial interactions in PLA, leading to improved mechanical and thermal performance and highlighting its potential as an effective reinforcing component in sustainable biocomposites. Polylactic acid ; Lignin ; Differential scanning calorimetry ; Ultimate tensile strength ; Cellulose ; Glass transition ; Dynamic mechanical analysis ; Dispersion (optics) ; Polymer Advanced Cellulose Research Studies ; Lignin and Wood Chemistry ; Natural Fiber Reinforced Composites
Authors: Manan Limbad
Source: ChemRxiv (article, 2026-02-24)
Field: Chemistry — Inorganic Chemistry

Computational Prediction and Experimental Validation Framework for Nitrogen-Enriched Metal-Decorated Porous Framework Composites: Enhanced Reversible Hydrogen Physisorption at Ambient Temperature mputational predictions are rigorously validated against 18 peer-reviewed experimental studies establishing binding energies (pristine COF: 5-10 kJ/mol, Li-decorated MOF: 17-24 kJ/mol), surface areas (COF: 1500-4200 m 2 /g), and capacity benchmarks (Li-carbon systems: 2.1-2.8wt% at 298 K).Complete experimental validation methodology is disclosed including synthesis protocols (solvothermal COF synthesis 120-180C, organometallic Li decoration under inert atmosphere, scaffold integration), structural characterization (XRD, BET, XPS for Li-N coordination), and performance testing (Sieverts apparatus isotherms 273-323 K, Clausius-Clapeyron binding energy determination, 500-cycle durability).This work establishes a validated computational-to-experimental framework for rational design of ambient-temperature hydrogen storage materials addressing the global energy transition challenge requiring economical, safe, and reversible storage systems for fuel cell vehicles and renewable energy infrastructure. Physisorption ; Hydrogen ; Porosity ; Porous medium ; Temperature measurement Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Nanoporous metals and alloys