jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Julien Allaz | Lukas Martin | Julian-Christopher Storck | Peter Ulmer | Éric Reusser | Răzvan‐Gabriel Popa | Arka Chatterjee | Olivier Bachmann
Source: American Mineralogist (article, 2026-01-16)
Field: Materials Science — Surfaces, Coatings and Films

Quantitative analyses by combined energy and wavelength dispersive spectrometry: The best of both worlds Abstract This paper focuses on the ability of an electron probe microanalyzer (EPMA) or a scanning electron microscope (SEM) equipped with wavelength and energy dispersive spectrometers (WDS and EDS) to use both these detectors for their standard-based quantitative X-ray analysis to yield precise and accurate compositions. This approach can be extremely useful to improve the analytical capabilities at the micron-scale, notably to: reduce the total analysis time,improve the precision and accuracy on minor and trace elements in beam sensitive materials,improve the accuracy by choosing WDS analysis for elements suffering from a poor peak-to-background ratio and low count rate on EDS (e.g., trace elements, light elements) or of a strong interference by EDS,permit the post-analysis quantification of an unsuspected element,enable a lifeline to salvage quantitative data after a WDS hardware failure or a change in the environment affecting one or more WDS (i.e., room temperature),or a combination of the above, and possibly more.First, we evaluate the reliability of EDS versus WDS data in geological samples on our EPMA and SEM instruments. A general silicate analysis setup is designed to prove that identical results can be obtained for major and minor elements down to ∼0.5 wt% in a variety of common rock-forming minerals. In the second step, the analysis of natural and synthetic glass by classical WDS-only EPMA analysis versus EDS on an SEM, the latter being appreciated for both its standard-based and standardless options. Finally, two real-case applications of combined EDS-WDS analysis are presented: (1) halogens and few minor to trace elements analysis in apatite, such as S, Ce, Si, Na, Fe, Mg, and Mn at low current and high resolution (≤ 10 nA, 2 to 10 μm beam size) and Ca and P analyzed by EDS, and (2) trace analysis of P-in-olivine (and other elements such as Cr and Al) at high current (≥ 200 nA) and focused beam with Si, Fe, Mg, and Mn by EDS. Electron microprobe ; Wavelength ; TRACE (psycholinguistics) ; Analytical Chemistry (journal) ; Spectrum analyzer ; Energy (signal processing) ; Spectrometer ; Interference (communication) ; Quantitative analysis (chemistry) ; Minor (academic) Electron and X-Ray Spectroscopy Techniques ; Advanced Electron Microscopy Techniques and Applications ; X-ray Spectroscopy and Fluorescence Analysis
Authors: Ana María González | Felipe L. Pérez-Gordillo | Pablo Alarcón-Guijo | M C Romero-Puertas | L M Sandalio | José M. Domínguez‐Vera
Source: Frontiers in Plant Science (article, 2026-01-02)
Field: Materials Science — Materials Chemistry

Electrochromic polyoxometalates for sensing abiotic stress in plants A demonstrable correlation has been identified between the redox activity of plants and various stress types. This correlation facilitates the classification of responses into two distinct categories: adaptive eustress and detrimental distress. This advancement contributes to the enhancement of plant metabolic and stress tolerance evaluation. Electrochromism ; Stress (linguistics) ; Abiotic stress ; Redox ; Fight-or-flight response ; Abiotic component ; Oxidative stress Polyoxometalates: Synthesis and Applications ; Light effects on plants ; Plant Stress Responses and Tolerance
Authors: Ki Hyun Nam | Sang-Ho Na
Source: Scientific Reports (article, 2026-01-30)
Field: Materials Science — Materials Chemistry

Serial femtosecond crystallography data processing at the global science data hub center at KISTI Serial crystallography (SX) is an emerging technique for determining the room-temperature structures of macromolecules or small molecules, while minimizing radiation damage. SX combined with pump–probe or mix-and-inject experiments further enables the visualization of time-resolved molecular dynamics involved in reaction mechanisms. In SX experiments, hundreds of thousands to millions of diffraction images are typically collected to determine the three-dimensional structure, and high-performance computing resources are required to efficiently process such large datasets. In this study, we introduced the computing infrastructure of the Global Science Data hub Center (GSDC) at the Korea Institute of Science and Technology Information (KISTI) for Serial femtosecond crystallography (SFX) data processing generated using the Pohang Accelerator Laboratory X-ray Free Electron Laser (PAL-XFEL). We describe the hardware and software specifications of three dedicated servers for SX data processing at GSDC. Using this system, we processed SFX data for three different datasets, incorporating various inputs such as parallel processing with CPUs, indexing algorithms, and other indexing parameters, to understand the correlation between data processing speed and indexing efficiency. These results provide practical guidelines for SX data processing using the GSDC infrastructure and offer valuable insights for designing efficient data collection and analysis strategies. Data processing ; Search engine indexing ; Software ; Data center ; Parallel processing ; Information processing ; Visualization ; Femtosecond ; Computer data storage Enzyme Structure and Function ; Crystallography and molecular interactions ; Advanced Electron Microscopy Techniques and Applications
Authors: WenJia Quan | YingPo Qiu | Lv Yang | Hao Wang
Source: Frontiers in Bioengineering and Biotechnology (article, 2026-01-23)
Field: Chemistry — Spectroscopy

MXene-based functionalized platforms for high-performance MALDI-TOF MS: application in early-stage bloodstream infection biomarker screening This study not only confirmed the application potential of MXene in mass spectrometry, but also provided a highly sensitive and high-throughput metabonomics technology platform for early screening of infectious diseases. This progress is expected to promote the transformation of BSI diagnosis from single indicator detection to multidimensional metabolic fingerprint analysis. Bloodstream infection ; Biomarker ; Transformation (genetics) ; Diagnostic biomarker ; Biomarker discovery Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Biosensors and Analytical Detection
Authors: Esperanza Peralta-Cuevas | Nahomi Y. Degollado-Hernández | Iliana C. Martínez-Ortíz | Ashley J. Gutierrez-Onofre | Igor Garcia-Atutxa | Francisca Villanueva-Flores
Source: Frontiers in Pharmacology (article, 2026-02-10)
Field: Materials Science — Biomaterials

How do nanoparticle properties shape pharmacokinetics and pharmacodynamics? A mechanistic review Many therapeutics fail due to suboptimal pharmacokinetics/pharmacodynamics (PK/PD), and the development of nanomedicine remains partly empirical. We present a protocol-guided, mechanistic review that links nanoparticle (NP) physicochemical traits (such as size, surface charge/hydrophobicity, elasticity, and composition) to protein-corona remodeling, immune recognition, biodistribution, and clearance across the ADME, and examines how these shifts translate into pharmacodynamics and therapeutic index. We systematically searched PubMed, Web of Science, Scopus, and ClinicalTrials.gov (primarily 2000-2025) using predefined Boolean strings. We included <i>in vivo</i> animal or human studies directly comparing the same drug in NP <i>versus</i> non-NP formulations with matched route and comparable dose, reporting at least one PK and/or PD endpoint, while excluding in vitro-only reports, reviews/opinion articles, and studies with undisclosed or non-comparable vehicles. We curated <i>in vivo</i>, route-matched comparisons of the same drug in NP <i>versus</i> non-NP forms and compiled an eight-drug cross-compound dataset. Where variance permitted, we quantified effects using standardized ln-ratios for AUC, half-life, and clearance, and flagged vehicle-matched comparisons to avoid overattributing gains to nanoscale architecture. Across oral and intravenous delivery, NPs consistently increased systemic exposure and prolonged half-life, with the most significant benefits in poorly soluble, lipophilic molecules; effect sizes were context-dependent and, in some formulations, reached multi-fold improvements. Mechanistically, we delineate when lymphatic uptake (long-chain lipid carriers), receptor-mediated transcytosis (e.g., BBB-oriented designs), or context-limited EPR are most contributory, and we highlight stiffness-dependent corona effects (e.g., ApoA-I enrichment) as a lever to extend circulation. To enable translation, we contribute: (i) a mechanism-to-metric map that connects trait tuning to PK readouts and PD/TI implications; (ii) a standardized, route-stratified table of ln-ratio effects with explicit vehicle/excipient flags; and (iii) a pragmatic decision framework to triage candidates (by logP/solubility and barrier goals) and design reproducible studies with safety checks (CARPA, anti-PEG/ABC, inorganic retention). Collectively, these elements advance anticipatory, model-informed nanoformulation design and provide quantitative anchors for future vehicle-matched, mechanism-driven comparisons. Nanomedicine ; Pharmacokinetics ; Pharmacodynamics ; Transcytosis ; Drug ; Tofacitinib ; Nanoparticle ; Drug discovery Nanoparticle-Based Drug Delivery ; Drug Solubulity and Delivery Systems ; Advanced Drug Delivery Systems
Authors: Chenguang Deng | Yutong He | Wenfeng Yang | Han Yu | Zijian Hong | Hao Liu | Haojie Han | Wei Li | Yunpeng Ma | Zhongshan Zhang | Yinyin Wu | Jing Ma | Bing Xiong | Changzheng Sun | Rong Yu | Jing-Feng Li | Ji Zhou | Yi Luo | Q. Li
Source: Light Science & Applications (article, 2026-01-02)
Field: Materials Science — Materials Chemistry

Self-buffered epitaxy of barium titanate on oxide insulators enables high-performance electro-optic modulators Integrated photonics has emerged as a promising alternative for data communication and computing, ferroelectric BaTiO<sub>3</sub> (BTO) stands out for its exceptional electro-optic response among candidate materials. However, direct epitaxial growth of BTO entails a fundamental trade-off: substrates with low refractive index are required for strong optical confinement, yet those with large lattice mismatch degrade film crystalline quality and electro-optic performance. We report a buffer-free, strain-engineered approach to integrate high-performance BTO thin films directly on LaAlO<sub>3</sub>-Sr<sub>2</sub>TaAlO<sub>6</sub> (LSAT) oxide-insulator substrates. By exploiting a self-buffer layer formed during the initial growth stage, we achieve periodic in-plane strain modulation that stabilizes a polymorphic phase boundary with orthorhombic polar nanoregions, yielding a Pockels coefficient exceeding 358 pm V⁻¹ and a Curie temperature raised to 200 °C. Leveraging this material platform, we demonstrate the first realization of a Mach-Zehnder modulator using epitaxial BTO on LSAT. The device exhibits a half-wave voltage-length product of 0.7 V cm at 1550 nm, which closely matches finite-element simulations, and supports a 6-dB electro-optic bandwidth of 28 GHz. Our results validate BTO on LSAT as a viable photonic platform for scalable, low-voltage and high-speed modulators. Epitaxy ; Ferroelectricity ; Barium titanate ; Refractive index ; Photonics ; Birefringence ; Curie temperature ; Thin film ; Pockels effect Ferroelectric and Piezoelectric Materials ; Photorefractive and Nonlinear Optics ; Multiferroics and related materials
Authors: Sarah Kraus | Shir Arbib | Hila Ventura-Bixenshpaner | Pazit Rukenstein | Meirav Hirsh-Kovacs | Boaz Shalev | Moshe Eltanani | Udi Ron | Olga Gumina | Ofer Shalev | Jeff Geschwind
Source: Frontiers in Oncology (article, 2026-01-15)
Field: Materials Science — Biomaterials

Case Report: Treatment with magnetic nanoparticle-based hyperthermia stabilizes metastatic disease in stage IV primary liver cancer patients The First-in-Human clinical trial of a novel magnetic nanoparticle-based hyperthermia therapy consisting of iron oxide multicore encapsulated nanoparticles, termed Sarah Nanoparticles (SaNP), administered intravenously before being exposed to alternating magnetic field (AMF) irradiation began enrolment. We report the preliminary results on two patients with advanced primary liver cancer; a 75-year-old man with advanced stage hepatocellular carcinoma and a 69-year-old woman with metastatic cholangiocarcinoma treated with a SaNP dose of 1.8 mg/kg followed by pulsed AMF irradiation for a total duration of 15 min. Toxicity assessment was performed using standard criteria for the grading of adverse events during treatment and after a follow-up period of 30 days. Tumor response was evaluated by the Response Evaluation Criteria in Solid Tumors (RECIST) 1.1. Both patients tolerated the procedure well without any significant clinical or laboratory toxicities. Magnetic resonance imaging (MRI) analysis revealed accumulation of the SaNP in the tumors followed by clearance from the liver and spleen on T2*-weighted MR imaging. Tumor response as assessed by RECIST 1.1 demonstrated stable disease at the follow-up timepoint. Preliminary analysis of this First-in-Human trial of magnetic nanoparticle-based hyperthermia treatment for patients with advanced cancer demonstrated encouraging results both in terms of efficacy by halting disease progression and toxicity, where no significant side effects occurred. Hyperthermia ; Progressive disease ; Toxicity ; Adverse effect ; Response Evaluation Criteria in Solid Tumors ; Magnetic resonance imaging ; Hepatocellular carcinoma ; Stage (stratigraphy) Nanoparticle-Based Drug Delivery ; Ultrasound and Hyperthermia Applications ; Hepatocellular Carcinoma Treatment and Prognosis
Authors: Mahnoor Saeed | Kamran A. Khan
Source: Frontiers in Bioengineering and Biotechnology (article, 2026-01-12)
Field: Materials Science — Biomaterials

Bioengineered heart valves for personalized therapy: advances in manufacturing and clinical challenges Valvular heart diseases (VHDs) remain a significant clinical challenge, with mechanical and bioprosthetic valves offering only temporary solutions and failing to address long-term complications such as structural degradation, immune rejection, and the inability to dynamically remodel. Over the past two decades, tissue-engineered heart valves (TEHVs) have emerged as a promising alternative, combining biomaterials and patient-specific strategies to overcome these limitations. However, persistent issues, such as immune rejection, poor hemocompatibility, and inconsistent remodeling - continue to hinder clinical translation. Recent advances in immunomodulation, scaffold engineering, and personalized therapies show promise in mitigating these challenges, yet a fully integrated, comprehensive strategy remains elusive. This review critically explores the convergence of TEHVs and immunomodulation, focusing on how biomaterial-based immune engineering, nanoparticle-driven tolerance strategies, and advanced scaffold design can reshape heart valve therapy. By synthesizing recent innovations and highlighting key translational gaps, this paper lays the groundwork for a new generation of TEHVs that integrate, adapt, and regenerate, moving beyond passive mechanical replacements toward truly personalized cardiovascular solutions. Scaffold ; Mechanical heart ; Heart valve ; Translational research ; Bioresorbable scaffold ; Heart valve replacement Electrospun Nanofibers in Biomedical Applications ; Cardiac Valve Diseases and Treatments ; Tissue Engineering and Regenerative Medicine
Authors: Denis Czeskleba | Michael Rhode | Karsten Wandtke | Muhammad Dary Irfan | Thomas Kannengiesser
Source: Welding in the World (article, 2026-02-23)
Field: Materials Science — Metals and Alloys

Hydrogen diffusion in thick-walled S690 saw joints: part 1—experimental determination of microstructure-dependent diffusion coefficients Abstract High-strength low-alloyed steel S690 is widely used in heavy-duty applications, such as structural components, mobile cranes, and industrial plant construction, owing to their high strength and weldability. However, thick-plate submerged arc welding (SAW) can introduce elevated hydrogen levels and residual stresses that promote time-delayed hydrogen-assisted cold cracking (HACC). Accurate, microstructure-specific diffusion data are scarce, limiting predictive HACC assessments. This study presents an experimental determination of hydrogen diffusion coefficients ( D H ) in two S690 variants: thermomechanically rolled (S690MC) and quenched and tempered (S690Q). Multi-layer SAW welds were produced from 30-mm-thick plate material at three heat input levels, and diffusion membranes were extracted from weld metal (WM), heat-affected zone (HAZ), and base material (BM). Hydrogen permeation tests, conducted in accordance with DIN En ISO 17081, yielded flux curves normalized in time from which D H was derived using the inflection-point method. At room temperature, D H values ranged from 6 × 10 −5 mm 2 /s to 9 × 10 −5 mm 2 /s across all regions and heat inputs, with no significant difference between S690MC and S690Q. Weld metal exhibited marginally lower D H , attributed to enhanced hydrogen trapping, while base material measurements showed greater variability. These microstructure-resolved diffusion coefficients add quantitative data for modern S690 SAW welds and provide internally consistent input parameters for the numerical simulations presented in part 2. The results support improved parameterization for subsequent assessments of HACC risk through the optimization of welding parameters. Diffusion ; Welding ; Hydrogen ; Friction stir welding ; Base metal ; Solid mechanics ; Thermal diffusivity ; Cracking Hydrogen embrittlement and corrosion behaviors in metals ; Metal Forming Simulation Techniques ; High Temperature Alloys and Creep
Authors: Alberto Pietro Damiano Baltrocchi | Muhammad Shafique
Source: Frontiers in Sustainability (article, 2026-01-09)
Field: Materials Science — Polymers and Plastics

Circular pathways in construction: environmental life cycle assessment of bio-based fiber-reinforced building component The construction sector is one of the most significant contributors to global environmental impacts, particularly due to its high material and energy demands. Developing sustainable alternatives to conventional building materials is, therefore, a critical step toward reducing the environmental impact of this sector. The integration of recycled bio-based fibers with traditional reinforcement is proposed as an alternative solution to mitigate environmental impacts. This study evaluated the environmental benefits of replacing traditional steel reinforcement with recycled bio-based hemp and bamboo fibers in a reinforced concrete beam using the Life Cycle Assessment (LCA) methodology, excluding the evaluation of the mechanical performance of the replacement materials from its scope. The results show that, overall, replacing steel has significant benefits for several impact categories even at low replacement rates for the reinforced concrete beam. For instance, in terms of global warming potential (GW), the emissions decrease from 362 kg CO 2 eq for beam for the steel-reinforced concrete to 324 kg CO 2 eq for beam for 30% steel replacement with recycled hemp and 312 kg CO 2 eq for beam for 30% steel replacement with recycled bamboo fiber. Therefore, the GW emissions decrease by around 14% for the reinforced concrete beam. This study contributes to the scientific literature by providing concrete data on the benefits of using bio-based recycled fibers even at low replacement rates. This research suggests that utilizing recycled bio-based materials could be a practical approach to enhancing the sustainability of construction materials from a circular economy perspective. Life-cycle assessment ; Bamboo ; Sustainability ; Environmental impact assessment ; Reinforced concrete ; Reinforcement ; Global-warming potential ; Beam (structure) Natural Fiber Reinforced Composites ; Hygrothermal properties of building materials ; Bamboo properties and applications
Authors: Tanja Holstein | Pieter Verschaffelt | Tim Van Den Bossche | Simon Van de Vyver | Lennart Martens | Bart Mesuere | Thilo Muth
Source: Journal of Proteome Research (article, 2026-03-04)
Field: Chemistry — Spectroscopy

The Peptonizer2000: Bringing Confidence to Metaproteomics Metaproteomics, the large-scale study of proteins from microbial communities, faces challenges in identifying species due to similarities in protein sequences across different organisms. Current methods often rely on simple counting of matches between proteins and taxa, which can lead to low accuracy. We introduce the Peptonizer2000, a new tool that uses advanced modeling to provide more precise taxonomic identifications along with confidence scores. It combines peptide scores from any proteomic search engine with peptide-to-taxon links from the Unipept database. By applying statistical models, the Peptonizer2000 improves taxonomic resolution and delivers more reliable results. We validate its performance using publicly available data sets, demonstrating its ability to produce high-confidence identifications. Our results suggest that the Peptonizer2000 improves the specificity and confidence of taxonomic assignments in metaproteomics, providing a valuable resource for the study of complex microbial communities. Metaproteomics ; Resource (disambiguation) ; Confidence interval ; Proteogenomics ; Metagenomics ; Taxonomic rank Advanced Proteomics Techniques and Applications ; vaccines and immunoinformatics approaches ; Bioinformatics and Genomic Networks
Authors: Yasuhiro Hasegawa | Kotoko Kodama
Source: Scientific Reports (article, 2026-02-02)
Field: Materials Science — Materials Chemistry

Applicability limits of time-domain impedance spectroscopy for comprehensive thermoelectric characterization under heat leakage conditions We measured the complete set of thermoelectric parameters using the time-domain impedance spectroscopy (TDIS) method with controlled heat leakage on a bismuth-telluride-based Π-shaped thermoelectric module over the temperature range of 100-300 K. The resistivity and dimensionless figure of merit (zT) were determined to be 2.341 µΩ m and 0.111 ± 0.001 at 100 K, and 10.194 µΩ m and 0.8645 ± 0.0003 at 300 K, respectively. The corresponding thermal conductivities were 2.443 ± 0.396 W/m K at 100 K and 1.259 ± 0.003 W/m K at 300 K. Based on the definition of zT, the absolute values of the Seebeck coefficient were calculated as 79.74 ± 8.72 µV/K at 100 K and 192.32 ± 0.93 µV/K at 300 K as effective values. These results confirm that the TDIS method enables complete thermoelectric characterization using electrometric measurements. We further analyzed the conditions required to achieve high measurement accuracy within specified error margins. Our findings indicate that the critical factors are the relative error in zT during measurements and the thermal conductance ratio between the thermoelectric element and the lead wires responsible for heat leakage. Thermoelectric effect ; Dimensionless quantity ; Seebeck coefficient ; Thermal conductivity ; Thermoelectric materials ; Characterization (materials science) ; Atmospheric temperature range ; Dielectric spectroscopy ; Electrical resistivity and conductivity Advanced Thermoelectric Materials and Devices ; Thermal properties of materials ; Thermography and Photoacoustic Techniques