jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Morassa Raouf | Björn Sjöstrand | Agne Swerin
Source: BioResources (article, 2025-11-19)
Field: Materials Science — Biomaterials

Hardwood-derived cellulose nanofibrils and micro-fibrillated cellulose via Fenton pretreatment: Issues of fiber fragmentation and coating performance A novel cellulose nano material was prepared through a controlled Fenton oxidation process utilizing hydrogen peroxide and ferrous ions. The reaction parameters enabled ferrous-catalyzed oxidation, which combined with mechanical treatment resulted in an effective fibrillation of cellulose fibers. Optical microscopy images provided a visual comparison of fiber morphology between untreated hardwood pulp and Fenton-treated samples, clearly illustrating the fibrillation effect. The samples were evaluated for fiber drainage behavior, and conclusions about accessibility and the extent of fibrillation were made. Measurements of the surface charge of the samples revealed an increase in negative charges originating from added carboxyl groups, which is essential for the dispersing and stabilization of cellulose nano fibrils and micro-fibrillated cellulose (CNF/MFC). Fourier-transform infrared spectroscopy (FTIR) confirmed the introduction of the carboxyl groups due to the Fenton treatment. The CNF/MFC material was used as paper coatings, without adding additional materials. The coated samples underwent analyses of permeability and roughness, revealing possibilities for enhancements in barrier properties and hydrophobicity. The results emphasize the ability of Fenton oxidation in generating high-quality small scale cellulosic materials with customized functionalities, underscoring their potential application in advanced coating technologies and sustainable material innovation. Cellulose ; Cellulose fiber ; Coating ; Oxidized cellulose ; Hydrogen peroxide ; Fiber ; Pulp (tooth) ; Regenerated cellulose Advanced Cellulose Research Studies ; Power Transformer Diagnostics and Insulation ; Lignin and Wood Chemistry
Authors: Hilmi S. Salem | Ibrahim Rabba | Freelance Mineralogist, Thahriya, Hebron, West Bank, Palestine (Occupied)
Source: Engineering and Applied Science Letters (article, 2025-06-30)
Field: Chemistry — Electrochemistry

Using Dowsing experimental technique (TED) to identify different minerals, metals, and other materials: Is it pure physics and chemistry (Applied Natural Sciences), or psychology (Human’s Behavioral Science)? Dowsing experimental technique (DET), also known as divination, has been used to serve human needs across different civilizations. A comprehensive review of the literature on DET indicates that scientists are divided into two groups, regarding DET’s science and interpretation. One group believes that there is pure physics and chemistry behind DET and, therefore, it should be considered as one of the applied sciences used for materials’ prospecting. The other group believes that identification of materials using DET can be explained as a psychological behavior. In this research paper, DET has been used to identify several materials, and the various possible mechanisms behind it also examined. Accordingly, 68 samples were collected from various locations in Jordan and Palestine to identify them using DET. The collected samples, including different kinds of minerals, metals, rocks, etc., were divided into 9 groups. Experiments were conducted on combinations of the collected materials, using wooden rods and two capsules filled with crushed materials and placed on the rods. It is believed that the materials were identified using DET because of energy radiation, thermal conduction, piezoelectric effects, and/or electrostatic forces. DET may be also interpreted in terms of psychological perspectives, as being a psychological kinesthetic sense. So that these forces may be able to move the rods towards the target material, identify it, and recognize its location. However, DET is still an open question for further research, including cyber-psychology and other digital tools. In short, DET has proven to be a successful, easy, cheap, applicable, and sustainable technique for identifying and locating various materials. Natural science ; Natural (archaeology) ; Chemistry ; Engineering physics ; Environmental chemistry ; Physics ; Geology Electrochemical Analysis and Applications
Authors: Nico Rademacher | Lukas Völkel | Eros Reato | Martin Otto | Simonas Krotkus | Jan Mischke | Emre Yengel | C. Mauder | Alex Henning | M. Heuken | Ke Ran | Joachim Mayer | Max C. Lemme
Source: Research Square (preprint, 2025-11-25)
Field: Materials Science — Materials Chemistry

Water-based, large-scale transfer of 2D materials grown on sapphire substrates Sapphire ; Chemical vapor deposition ; Raman spectroscopy ; Hexagonal boron nitride ; Molybdenum disulfide ; Substrate (aquarium) ; Potassium hydroxide ; Boron nitride ; Wide-bandgap semiconductor 2D Materials and Applications ; Graphene research and applications ; Nanowire Synthesis and Applications
Authors: Niuniu Zhang
Source: Applied and Computational Engineering (article, 2025-09-24)
Field: Materials Science — Materials Chemistry

Theoretical Architecture and Fabrication Techniques of Carbon Nanotube Field-Effect Transistors Silicon-based transistors face scaling limits from short-channel effects, power crises, and rising costs. Carbon nanotube field-effect transistors (CNTFETs), exploiting quasi-ballistic transport and one-dimensional electrostatics of single-walled carbon nanotubes (SWCNTs), offer superior short-channel control and high performance at sub-20 nm scales. This paper examines recent advances in CNTFET theory and fabrication, covering device principles, structures, chirality-dependent properties, carrier injection, and electrostatic metrics compared to silicon FinFETs. Manufacturing progress includes chirality-selective synthesis, wafer-scale alignment, ultralow-resistance contacts, high-κ/metal gate integration, and low-damage processes. Comparative analysis reveals that CNTFETs achieve drain-induced barrier lowering (DIBL) and sub-threshold swing (SS) surpassing their silicon counterparts, highlighting their promise for scalable, high-performance post-silicon electronics. Carbon nanotube field-effect transistor ; Carbon nanotube ; Transistor ; Fabrication ; Silicon ; Nanoelectronics ; Field-effect transistor ; Electrostatics Carbon Nanotubes in Composites ; Nanotechnology research and applications ; Graphene research and applications
Authors: Beibei Wang | Ling Sun | Kai Liu | Di Wu | Jinqiu Wang | Fang Geng
Source: Chemistry (article, 2025-06-06)
Field: Materials Science — Materials Chemistry

One-Step Hydrothermal Synthesis of Multicolour Graphene Quantum Dots and Study of Their Luminescence Mechanism Multicolour graphene quantum dots (GQDs), from blue to orange emitting, were successfully synthesized via a one-step hydrothermal method using potassium hydrogen phthalate and o-phenylenediamine as the raw materials. After purification by silica gel column chromatography, four kinds of GQDs with maximum emission wavelengths of 420 nm (blue), 500 nm (green), 540 nm (yellow), and 555 nm (orange) were obtained, and all had a high quantum yield (9.7%, 8.8%, 9.3%, and 10.3%, respectively). The structural characterization revealed that the synthesized GQDs had a regular morphology, with a size of 2–3 nm and a thickness of 1–2 nm. The D-band-to-G-band ratio was less than 0.3, indicating that the GQDs had a high degree of graphitization. In addition, the emission peaks of the GQDs were red-shifted as the particle size increased, confirming that their luminescence was dominated by the quantum confinement effect. By analyzing the surface states and the functional groups of the multicolour GQDs, it was found that the GQDs had a similar elemental composition, which further proved that the emission wavelengths did not depend on the surface element composition, but conformed to the luminescence mechanism regulated by the quantum-limited effect. Furthermore, the four types of GQDs exhibited low cytotoxicity and good stability, suggesting their potential applications in biomarkers and for the synchronous detection of a variety of analytes. Quantum dot ; Luminescence ; Mechanism (biology) ; Hydrothermal circulation ; Graphene ; Hydrothermal synthesis ; Nanotechnology ; Optoelectronics ; Materials science ; Physics ; Chemical engineering ; Quantum mechanics ; Engineering Carbon and Quantum Dots Applications ; Graphene and Nanomaterials Applications ; Nanocluster Synthesis and Applications
Authors: Diego P. Pacherrez Gallardo | Sumito Kawamura | Ryo Shoji | Lina Yoshida | Binbin Weng
Source: Sensors (article, 2025-04-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Thickness-Tunable PDMS-Based SERS Sensing Substrates Surface-enhanced Raman scattering (SERS) spectroscopy is an ultra-sensitive analytical method with the powerful signal-molecule detection capability. Coupling with the polydimethylsiloxane (PDMS) material, SERS can be enabled on a polymeric substrate for fast-developing bio-compatible sensing applications. However, due to PDMS's high viscosity, conventional PDMS-SERS substrates are typically thick and stiff, limiting their freedom for engineering flexible micro/nano functioning devices. To address this issue, we propose to adopt a low viscosity decamethylcyclopentasiloxane (D5) solvent as a diluent solution. Via controlling the mixture ratio of D5 and PDMS and the spin-coating speed for deposition, this method resulted in a film of a well-defined thickness from sub-millimeter down to a 100 nm scale. Furthermore, thanks to the unsaturated Si-H chemical bonds in the PDMS curing agent, the PDMS film could effectively reduce the Ag+ ions to Ag nanoparticles (NPs) directly bonding onto the substrate surface uniformly. Via adjusting the size and density of the AgNPs through reaction temperature and time, strong SERS was achieved and verified using R6G with the detection limit down to 0.1 ppm, attributed to the AgNPs' plasmonic enhancement effect. Polydimethylsiloxane ; Materials science ; Raman spectroscopy ; Substrate (aquarium) ; Raman scattering ; Detection limit ; Nanotechnology ; Chemical engineering ; Coating ; Nanoparticle ; Chemistry ; Chromatography Gold and Silver Nanoparticles Synthesis and Applications ; Biosensors and Analytical Detection ; Advanced biosensing and bioanalysis techniques
Authors: Mykhailo Hoidyk | Andriy Karkhut | Svyatoslav Polovkovych | Roman Lesyk
Source: ScienceRise Pharmaceutical Science (article, 2025-10-31)
Field: Chemistry — Organic Chemistry

Synthesis, structural characterization and antitumor activity of new chromeno[4′,3′:4,5]thiopyrano[2,3-d]thiazole derivatives The development of heterocyclic compounds with significant biological activity remains a priority in modern medicinal chemistry. The use of cascade domino reactions, such as Knoevenagel condensation combined with hetero-Diels-Alder cyclization, enables the efficient construction of complex structures with potential anticancer properties. The aim of the study. To synthesize a series of thiopyrano[2,3-d]thiazole derivatives via a cascade Knoevenagel–hetero-Diels–Alder reaction followed by N3-alkylation and evaluate their in vitro antitumor activity in the NCI-60 human cancer cell line panel. Materials and methods. Structural identification of the compounds was carried out using NMR spectroscopy in DMSO-d₆ with tetramethylsilane (TMS) as the internal standard, and LC-MS analysis with an APCI mass-selective detector. Biological activity was assessed using the NCI-60 screening program, which includes a panel of 60 human cancer cell lines of various origins. Key parameters such as growth inhibition (GI₅₀), lethal concentration (LC₅₀), and cytotoxicity at micromolar concentrations were determined. Results. A series of thiopyrano[2,3-d]thiazole derivatives were synthesized through a two-step domino Knoevenagel condensation and intramolecular hetero-Diels–Alder cyclization between 4-thioxo-2-oxothiazolidinone and O-alkylated salicylaldehyde derivatives bearing allylic or propargyl substituents. Subsequent N3-alkylation yielded compounds 3.1 (60.0%), 3.2 (67.0%), and 4 (58.0%). Introduction of a piperidine moiety enabled the synthesis of water-soluble methanesulfonate salt 5 (70.0%). Reaction with 2,5-(2-propynyloxy)benzaldehyde led to in situ aromatization and the formation of a stable compound 8. Four compounds were tested for anticancer activity. Compound 8 showed the highest efficacy, causing complete cell death in OVCAR-4 (Ovarian Cancer, LC₅₀ = 29.5 μM) and strong growth inhibition in SR (Leukemia, GI₅₀ = 0.676 μM), 786-0 (Renal Cancer, GI₅₀ = 0.696 μM), A498 (Renal Cancer, GI₅₀ = 0.528 μM), and BT-549 (Breast Cancer, GI₅₀ = 0.666 μM) cells. Conclusions. The proposed synthetic methodology enables efficient preparation of structurally diverse thiopyrano[2,3-d]thiazole derivatives in high yields. N3-alkylation and incorporation of a piperidine fragment allowed for the synthesis of a water-soluble methanesulfonate salt 5. Among the tested compounds, compound 8 exhibited the most promising cytotoxicity and selectivity towards several cancer cell lines, suggesting its potential as a lead compound for further preclinical development of novel anticancer agents Knoevenagel condensation ; Cytotoxicity ; Moiety ; Biological activity ; Cascade reaction ; Chemical synthesis ; Structure–activity relationship ; Isopropylamine ; Cell culture Multicomponent Synthesis of Heterocycles ; Synthesis and biological activity ; Synthesis of Organic Compounds
Authors: A. Wahbi | George Brinklow | Alexis Cova‐Bonillo | M. Wu | A. Tsolakis | J.M. Herreros | S. Zeraati-Rezaei | Paul Millington | R. Blight
Source: Fuel (article, 2025-10-03)
Field: Materials Science — Materials Chemistry

Abating secondary NH3 and N2O formation on the three-way catalysts: The role of steam • Water injection decreases secondary NH 3 & N 2 O emissions after the TWC. • Low engine-out NOx is the key driver for low NH 3 TWC formation. • N 2 O emissions are minimal and decreased by water injection. • A trade-off was found: water injection reduces CO but raises HC emissions. Even though water injection has already been proven to reduce NOx formation within the combustion chamber, there is limited research on how this affects the formation of such emissions in three-way catalysts (TWCs). Considering this, the work presented here studies the effect of in-cylinder water injection on the performance of a TWC with respect to the formation of ammonia (NH 3 ) and nitrous oxide (N 2 O). Experimental testing using a gasoline direct injection (GDI) engine fitted with an intake port water injection system was completed. These tests found a clear reduction in NH 3 formation over the TWC when in-cylinder water injection was implemented. The reduction in NH 3 formation, particularly pronounced at richer conditions, is attributed to lower engine-out NO concentrations, which in turn reduces secondary NH 3 formation over the TWC. Lean engine conditions did not produce any NH 3 with or without water injection, due to lower TWC NH 3 selectivity. There was minimal formation of N 2 O during this work as the TWC temperature was greater than the typical N 2 O formation window. This work highlights the synergistic benefits of reducing secondary emissions during the combustion process and the favourable effect on catalytic technologies through in-cylinder water enrichment. NOx ; Nitrous oxide ; Ammonia ; Catalysis ; Combustion ; Water injection (oil production) ; Nitrogen oxide ; Selective catalytic reduction Catalytic Processes in Materials Science ; Advanced Combustion Engine Technologies ; Ammonia Synthesis and Nitrogen Reduction
Authors: Andriy B. Vishnikin | Anna Chernyavskaya | Yaroslav Bazeľ
Source: Chemosensors (article, 2025-10-01)
Field: Chemistry — Spectroscopy

Colorimetric Chemosensor for Determination of Loratadine Based on Bromocresol Purple–Cationic Polyacrylamide Copolymer System A new sensor system for the determination of nitrogen-containing pharmaceutical substances has been proposed. It is based on the use of an ion association complex formed between cationic polyacrylamide (CPAA) and sulfonephthalein dye as a reagent. Bromocresol purple (BCP) interacts with CPAA to form a complex through hydrophobic interaction as well as electrostatic interaction. In the pH range from 3.5 to 5.5, this leads to an increase in the intensity of the dianionic form BCP band at 590 nm. The interaction between the polymer and the dye leads to an increase in the acidic properties of BCP, causing its pKa2 to shift from 6.3 to 3.75. Subsequently, when loratadine (LOR) is added to the CPAA/BCP system, the strong electrostatic interaction between the BCP monoanion and the protonated form of LOR leads to a decrease in the intensity of the band at 590 nm and an increase in the absorbance of the band at 432 nm, which is related to the dye monoanion. Here, we have demonstrated that this facile methodology can enable the rapid, reliable, and selective determination of LOR with a detection limit of 1.6 mg L−1 and a linear range from 5.0 to 120 mg L−1. The environmental friendliness of the developed method was assessed using the AGREE metric and is characterized by a high score of 0.83. The developed method represents a new approach to the creation of extraction-free spectrophotometric methods based on ionic associates of anionic dyes with protonated forms of nitrogen-containing medicinal compounds. The method was successfully applied to the determination of LOR in pharmaceutical preparations with satisfactory precision and accuracy. Overall, the results obtained indicate that this method has great potential for application in pharmaceutical analysis. Bromocresol green ; Cationic polymerization ; Loratadine ; Absorbance ; Protonation ; Colorimetry ; Polyacrylamide ; Ionic bonding Analytical Chemistry and Chromatography ; Advanced Chemical Sensor Technologies ; Analytical Methods in Pharmaceuticals
Authors: S.I. Kalinichenko | M.S. Pudovkin
Source: Condensed Matter (article, 2025-12-03)
Field: Materials Science — Materials Chemistry

Spectral Characterization of CeF3-YF3-TbF3 Nanoparticles for Temperature Sensing in 80–320 K Temperature Range The studied Ce0.5Y0.5−XTbXF3 (X = 0, 0.001, 0.002, 0.005, 0.01, and 0.05) nanoparticles were synthesized via the water-based co-precipitation method. All the samples demonstrated diameters in the 17–20 nm range and a hexagonal phase corresponding to the phase of CeF3. Under 266 nm excitation (4f–5d absorption band of Ce3+), the luminescence spectrum shape was notably dependent on temperature. The integrated luminescence intensity ratio (LIR) of Ce3+ and Tb3+ (5D4–7F3) peaks was chosen as a temperature-dependent parameter. It was shown that the LIR functions linearly decay. The rate of decay decreases with the increase in Tb3+ concentration. This was explained by the fact that in the case of low Tb3+ concentrations, the spectral temperature dependence is mostly based on effective thermal quenching of Ce3+ luminescence. At higher Tb3+ concentrations, there is a higher probability of Ce3+ to Tb3+ energy transfer. Here, the efficiency of the temperature dependence of this process is lower, and the rate of LIR decay is lower as well. Luminescence ; Quenching (fluorescence) ; Nanoparticle ; Excitation ; Atmospheric temperature range ; Phase (matter) ; Absorption (acoustics) ; Range (aeronautics) ; Analytical Chemistry (journal) ; Spectral shape analysis Luminescence Properties of Advanced Materials ; Inorganic Fluorides and Related Compounds ; Radiation Detection and Scintillator Technologies
Authors: Yuanming Song
Source: ChemRxiv (preprint, 2025-05-08)
Field: Materials Science — Biomaterials

Evaluating SIRAH Force Field for Modeling Spontaneous and Redox-Responsive Peptide Self-Assembly Peptide self-assembly encompasses both spontaneous organization of molecules into stable nanostructures and active assembly controlled by external stimuli. Studying spontaneous assembly is crucial for understanding inherent peptide aggregation mechanisms and designing robust materials, while active, stimuli-responsive assembly enables dynamic control over material properties for applications in drug delivery and smart biomaterials. This study evaluates the performance of the SIRAH coarse-grained force field in simulating both spontaneous and redox-responsive peptide assemblies. Using experimentally characterized sequences and comparisons with established MARTINI simulations, preliminary results reveal significant limitations in SIRAH’s predictive capabilities: it exhibits overly high aggregation tendencies and fails to distinguish aggregating from non-aggregating peptides reliably. These findings suggest that, despite its detailed interaction mapping, SIRAH requires further parameter refinement before it can be used effectively for accurate screening and design of peptide-based self-assembling systems. Redox ; Peptide ; Field (mathematics) ; Force field (fiction) ; Nanotechnology ; Computer science ; Chemistry ; Materials science ; Mathematics ; Biochemistry ; Artificial intelligence ; Pure mathematics Supramolecular Self-Assembly in Materials ; Photoreceptor and optogenetics research ; Polydiacetylene-based materials and applications
Authors: Francisco Gil Coury | Guilherme Cardeal Stumpf | Yifan Cao | Vinícius Pereira Bacurau | D.B. Miracle | Witor Wolf | Edgar Dutra Zanotto | Rodrigo Freitas
Source: Research Square (preprint, 2025-08-20)
Field: Materials Science — Materials Chemistry

On the nature of chemical short-range order evolution Order (exchange) ; Range (aeronautics) ; Short range order ; Economics ; Chemistry ; Engineering ; Aerospace engineering Crystallization and Solubility Studies ; Chemical Thermodynamics and Molecular Structure
Authors: Ecuador Departamento de Biología Molecular. Centro de Biociencias Clonallyx Corporation. Quito
Source: Polo del Conocimiento (article, 2025-12-01)
Field: Materials Science — Materials Chemistry

Aplicaciones de la inteligencia artificial en el modelamiento, diseño y prospección de moléculas con potencial terapéutico: revisión de avances y enfoques actuales La inteligencia artificial emergió como herramienta decisiva en el descubrimiento de fármacos, permitiendo modelar interacciones moleculares, diseñar nuevas entidades químicas y priorizar compuestos a gran escala. Aunque, su aplicabilidad real y la calidad de sus predicciones continúan siendo objeto de evaluación crítica. La presente investigación realizó una revisión narrativa y analítica de 28 artículos publicados en revistas del cuartil 1 y 2, centrada en tres áreas principales: (i) modelamiento molecular y predicción de afinidad, (ii) diseño generativo y optimización multiobjetivo de compuestos, y (iii) cribado virtual e integración multi-ómica. La información fue organizada en tablas comparativas, donde se sintetizan; algoritmos utilizados, rendimiento metodológico, esquemas de validación y limitaciones reportadas. Los métodos de modelamiento asistidos por inteligencia artificial incluyendo redes neuronales basadas en grafos, transformadores y predicción estructural tipo AlphaFold, mostraron mejoras del 20–30 % en la precisión de predicción de afinidad. Los modelos generativos propusieron nuevos esqueletos químicos, aunque la novedad estructural y la sintetizabilidad continúan limitadas por la diversidad de los datos de entrenamiento. El cribado virtual potenciado por inteligencia virtual alcanzó métricas de hasta 0.99 y permitió evaluar bibliotecas de hasta un millón de moléculas. La integración multi-ómica facilitó la priorización de dianas clínicas. La inteligencia virtual acelera de manera significativa las fases tempranas del descubrimiento molecular y amplía el espacio químico y biológico disponible. Sin embargo, su impacto translacional depende de la calidad de los datos, fortalecer la validación experimental y establecer marcos estandarizados que permitan una integración confiable entre predicción computacional y relevancia biológica. Network structure Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Microbial Natural Products and Biosynthesis