jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Hendri Van Hoten | Alva Edy Tontowi | H. Herianto | N. Nurbaiti
Source: International Journal of Engineering (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Optimization, Characterization, and Mechanical Properties of Printed Eco UV Resin Using 3D Printer on Moving Ultraviolet Light Curing Presently, Three-dimensional printer technology, an exceptionally light curing-based process, has developed intensively. Depending on the light source, many commercial three-dimensional printers are available at low to high prices. Blue light, ultraviolet, and laser are the most common light sources suitable for light projection-based technology. However, improving the interaction between the light source and the material processed is still challenging. The study aimed to find the optimum parameters of distance the moving ultraviolet light to the material and print speed based on curing depth. In this study, a commercial ultraviolet light source was carried out using Cure Beam Ultraviolet Light with a wavelength of 405 nm, which was exposed in a dark environment and at room temperature. The material was Eco UV Resin Anycubic, one of the photoliquid types. MiView camera was used to obtain the depth of the curing during the light exposure using a commercial three-dimensional printer. The response surface method optimized the printing parameter with 13 sets of specimens. The specimens were printed in the form of a line shape. Characterization and mechanical properties were investigated using a scanning electron microscope and Shore D Durometer. The results show that the optimum setup printing parameters were 10 mm and 1 mm/s for distance and print speed, respectively. Furthermore, the optimum parameter setting of curing depth was 8.029 mm. The surface shows the smooth (curing area) and wavy area. The hardness numbers of the optimum parameter were 61.3 HD (top) and 58.5 HD (bottom). Ultraviolet ; Curing (chemistry) ; UV curing ; 3D printing ; Materials science ; 3d printer ; 3d printed ; Ultraviolet light ; Composite material ; Ultraviolet radiation ; Chemistry ; Optoelectronics ; Mechanical engineering ; Biomedical engineering ; Engineering Photopolymerization techniques and applications
Authors: Subhendu Jana | Eric A. Gabilondo | Machima Mongkhonratanachai | P. Shiv Halasyamani | Paul A. Maggard
Source: Zeitschrift für anorganische und allgemeine Chemie (article, 2025-04-14)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Eu(II)‐Based Quaternary Chalcogenides with Noncentrosymmetric Structures Stabilized by Site Disorder of <i>d</i><sup>10</sup> Metal Cations Quaternary metal‐chalcogenides combining rare‐earth cations with late transition metal cations are attracting growing attention for their optical properties, such as for solar energy conversion or second harmonic generation. Synthetic explorations of the II 3 ‐ I 2 ‐ IV 2 ‐ Ch 8 family ( II = Eu; I = Cu or Ag; IV = Si, Ch = S or Se) have yielded Eu 3 Ag 2 Si 2 S 8 ( 1 ) and Eu 3 Cu 1.08(1) Si 2.42(1) Se 8 ( 2 ). Their structures have been characterized by X‐ray diffraction to form in the noncentrosymmetric space group I 3 d and to exhibit two distinct types of mixed‐site occupancies, for the Ag(I) cations in 1 and mixed Cu(I)/Si(IV) cations in 2 . In both, the cation disorder occurs to achieve charge balancing with the chalcogenide anions. A high yield of 1 can be achievedwith optical measurements showing indirect and direct band transitions of ≈2.2(1) and ≈2.4(1) eV, respectively. Its second harmonic generation response is found to be relatively strong, approximately 0.9 × AgGaS 2 , confirming its noncentrosymmetric structure. Band structure calculations reveal the valence and conduction band edges stem predominantly from the filled Ag(I)/Cu(I)‐based states and empty Si(IV)‐based states, respectively, with additional contributions from the chalcogenide anions. Calculation results also show that cation disorder facilitates a reduction in the antibonding interactions between the Ag(I)/Cu(I) d ‐based and chalcogenide p ‐based states. Quaternary ; Metal ; Materials science ; Crystallography ; Chemistry ; Geology ; Metallurgy ; Paleontology Crystal Structures and Properties ; Mineralogy and Gemology Studies ; Solid-state spectroscopy and crystallography
Authors: Fulya Taktak | Süleyman Gökçe
Source: International Journal of Environmental Science and Technology (article, 2025-04-28)
Field: Chemistry — Organic Chemistry

Efficient oxytetracycline removal using poly(DMAEMA)@TiO2 nanocomposite hydrogel: real wastewater application from a cattle farm and water quality improvement Abstract Wastewater from cattle farms, often containing antibiotics and other pharmaceuticals, poses a significant threat to water quality and environmental health. In this study, a poly(2-dimethylaminomethyl methacrylate) hydrogel incorporating TiO 2 nanoparticles was synthesized and optimized for the effective removal of oxytetracycline, a widely used antibiotic, from water and cattle farm wastewater. The adsorption was optimized by evaluating pH, adsorbent dosage, and contact time, achieving a maximum adsorption capacity of 770.54 mg g⁻ 1 at pH 7, with equilibrium established in just 30 min. The adsorption data followed the Langmuir isotherm model, indicating monolayer adsorption, and pseudo-second-order kinetics, suggesting chemisorption as dominant mechanism. The thermodynamic analysis confirmed that the process was spontaneous and exothermic, with higher efficiency observed at lower temperatures. Fourier Transform Infrared Fourier Transform Infrared Spectroscopy confirmed that electrostatic interactions and hydrogen bonding played key roles in adsorption. The prepared nanocomposite hydrogel maintained over 80% of its adsorption efficiency after six reuse cycles, with X-ray diffraction (XRD) analysis confirming its structural stability and crystallinity. When applied to real wastewater samples, the material significantly reduced pollutant levels, including Chemical Oxygen Demand (640–255 mg L −1 ) and Biochemical Oxygen Demand (215–63 mg L −1 ), conductivity (980–530 µS cm −1 ), sulfate (1253–96 mg L −1 ) and total phosphorus (2.125–0.458 mg L −1 ). These results show that the prepared nanocomposite hydrogel is a highly effective and environmentally friendly material for the rapid removal of antibiotics and the comprehensive improvement of water quality in complex wastewater systems. Graphical abstract Oxytetracycline ; Wastewater ; Water quality ; Nanocomposite ; Pulp and paper industry ; Environmental science ; Water treatment ; Waste management ; Environmental chemistry ; Chemistry ; Environmental engineering ; Materials science ; Composite material ; Ecology ; Antibiotics ; Engineering ; Biology Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal ; Water Quality Monitoring and Analysis
Authors: R. W. M. Kwok | Ryan Rutkoski | Pavel Nagorny | Mateusz Marianski
Source: Molecules (article, 2025-01-07)
Field: Chemistry — Organic Chemistry

Stereoelectronic Effect of Protecting Groups on the Stability of Galactosyl Donor Intermediates Using methods of DFT, we investigated the effect of electron withdrawing and electron donating groups on the relative stability of tentative glycosyl donor reaction intermediates. The calculation shows that by changing the stereoelectronic properties of the protecting group, we can influence the stability of the dioxolenium type of intermediates by up to 10 kcal mol<sup>-1</sup>, and that by increasing nucleophillicity of the 4-<i>O</i>-Bz group, the dioxolenium intermediate becomes more stable than a triflate-donor pair. We exploited this mechanism to design galactosyl donors with custom protecting groups on O2 and O4, and investigated the outcome of the reaction with cyclohexanol. The reaction showed no change in the product distribution, which suggests that the neighboring group participation takes precedence over remote group participation due to kinetic barriers. Chemistry ; Cyclohexanol ; Trifluoromethanesulfonate ; Protecting group ; Group (periodic table) ; Stereochemistry ; Reaction mechanism ; Glycosyl ; Computational chemistry ; Catalysis ; Medicinal chemistry ; Organic chemistry Carbohydrate Chemistry and Synthesis ; Glycosylation and Glycoproteins Research ; Chemical Synthesis and Analysis
Authors: Daniela Munteanu | Jean‐Luc Autran
Source: Crystals (article, 2025-02-15)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Single-Particle Radiation Sensitivity of Ultrawide-Bandgap Semiconductors to Terrestrial Atmospheric Neutrons Semiconductors characterized by ultrawide bandgaps (UWBGs), exceeding the SiC bandgap of 3.2 eV and the GaN bandgap of 3.4 eV, are currently under focus for applications in high-power and radio-frequency (RF) electronics, as well as in deep-ultraviolet optoelectronics and extreme environmental conditions. These semiconductors offer numerous advantages, such as a high breakdown field, exceptional thermal stability, and minimized power losses. This study used numerical simulation to investigate, at the material level, the single-particle radiation response of various UWBG semiconductors, such as aluminum gallium nitride alloys (AlxGa1−xN), diamond, and β-phase gallium oxide (β-Ga2O3), when exposed to ground-level neutrons. Through comprehensive Geant4 simulations covering the entire spectrum of atmospheric neutrons at sea level, this study provides an accurate comparison of the neutron radiation responses of these UWBG semiconductors focusing on the interaction processes, the number and nature of secondary ionizing products, their energy distributions, and the production of electron–hole pairs at the origin of single-event effects (SEEs) in microelectronics devices. Radiation ; Sensitivity (control systems) ; Semiconductor ; Neutron ; Particle (ecology) ; Band gap ; Particle radiation ; Physics ; Optoelectronics ; Materials science ; Optics ; Nuclear physics ; Charged particle ; Geology Ga2O3 and related materials ; Radiation Detection and Scintillator Technologies ; Photocathodes and Microchannel Plates
Authors: Kousik Das | Nayan Saha | Zhuofan Li | Indrajit Ghosh | Burkhard Koenig
Source: Angewandte Chemie International Edition (article, 2025-08-29)
Field: Chemistry — Organic Chemistry

Generalizing Vinyl Halide Cross‐Coupling Reactions with Photoredox and Photoredox/Nickel Dual Catalysis Reliable, broadly applicable cross-coupling conditions that deliver the desired products with minimal optimization are essential in pharmaceutical research, where efficient synthesis accelerates lead discovery and late-stage diversification. Although advances like high-throughput additive screening and commercial catalyst/ligand libraries improve prediction in specific systems, a general strategy for vinyl halide cross-coupling across diverse bond-forming reactions remains elusive. Herein, we report a general and highly predictable method for vinyl halide cross-coupling under photoredox conditions, employing two complementary catalytic systems. In the first, the organic photocatalyst 4CzIPN enables efficient coupling with nucleophiles such as thiols, selenols, sulfinate salts, activated alkenes, phosphorus (III), and boron compounds, affording C(sp<sup>2</sup>)─S, ─Se, ─C, ─P, and ─B bonds in high yields. In the second, a dual nickelphotoredox catalytic system facilitates coupling with less reactive nucleophiles, including phosphorus (V), nitrogen, and oxygen. This approach enables seven distinct bond-forming reactions, offering broad electrophile and nucleophile scope, high functional group tolerance, and applicability to the late-stage functionalization of complex biomolecules. The simple and consistent conditions enable one-pot, two-step bifunctional transformations by sequentially activating distinct chemical bonds involving nucleophiles and electrophiles. Photoredox catalysis ; Halide ; Nickel ; Coupling reaction ; Chemistry ; Photochemistry ; Catalysis ; Coupling (piping) ; Dual (grammatical number) ; Materials science ; Organic chemistry ; Photocatalysis ; Metallurgy Radical Photochemical Reactions ; Sulfur-Based Synthesis Techniques ; Catalytic C–H Functionalization Methods
Authors: Seong Baek Yang | M. Woo | Donghyeon Lee | Jonghyun Kim | Sang Yong Nam | Dong-Jun Kwon
Source: Materials (article, 2025-09-29)
Field: Materials Science — Polymers and Plastics

Mechanical and Anti-Icing Properties of Polyurethane/Carbon Fiber-Reinforced Polymer Composites with Carbonized Coffee Grounds Spent coffee grounds represent an abundant waste resource with potential for sustainable material applications. This study investigates the use of carbonized spent coffee grounds (CSCG) as fillers in polyurethane (PU) coatings for carbon fiber-reinforced polymer (CFRP) substrates to enhance mechanical durability and anti-icing performance. SCGs were dried, sieved (<100 µm), and oxidatively carbonized in air at 100-300 °C for 60-120 min, then incorporated into PU at 1 or 5 wt.% and applied by spray-coating. A full-factorial design was employed to evaluate the effects of carbonization temperature, particle size, and filler loading. The optimized formulation (300 °C, 100 µm, 5 wt.%) showed the highest water contact angle (103.5°), lowest work of adhesion (55.8 mJ/m<sup>2</sup>), and improved thermal stability with 60% char yield. Mechanical testing revealed increased tensile modulus with reduced strain, and differential scanning calorimetry indicated an upward shift in glass-transition temperature, suggesting restricted chain mobility. Ice formation at 0 °C was sparse and discontinuous, attributed to lowered polar surface energy, rough surface texture, and porous carbon morphology. These results demonstrate that CSCGs are effective sustainable fillers for PU coatings, offering combined improvements in mechanical, thermal, and anti-icing properties suitable for aerospace, wind power, and other icing-prone applications. Carbonization ; Differential scanning calorimetry ; Ultimate tensile strength ; Porosity ; Char ; Sandpaper ; Polymer ; Filler (materials) ; Carbon fibers ; Durability Flame retardant materials and properties ; Fiber-reinforced polymer composites ; Natural Fiber Reinforced Composites
Authors: M Sára | Andrea Romeo | Gabriele Lando | Maria Angela Castriciano | Roberto Zagami | G. Neri | Luigi Monsù Scolaro
Source: International Journal of Molecular Sciences (article, 2025-07-28)
Field: Materials Science — Materials Chemistry

Supramolecular Graphene Quantum Dots/Porphyrin Complex as Fluorescence Probe for Metal Ion Sensing Graphene quantum dots (GQDs) obtained by microwave-induced pyrolysis of glutamic acid and triethylenetetramine (trien) are fairly stable, emissive, water-soluble, and positively charged nano-systems able to interact with negatively charged <i>meso</i>-tetrakis(4-sulfonatophenyl) porphyrin (TPPS<sub>4</sub>). The stoichiometric control during the preparation affords a supramolecular adduct, GQDs@TPPS<sub>4</sub>, that exhibits a double fluorescence emission from both the GQDs and the TPPS<sub>4</sub> fluorophores. These supramolecular aggregates have an overall negative charge that is responsible for the condensation of cations in the nearby aqueous layer, and a three-fold acceleration of the metalation rates of Cu<sup>2+</sup> ions has been observed with respect to the parent porphyrin. Addition of various metal ions leads to some changes in the UV/Vis spectra and has a different impact on the fluorescence emission of GQDs and TPPS<sub>4</sub>. The quenching efficiency of the TPPS<sub>4</sub> emission follows the order Cu<sup>2+</sup> > Hg<sup>2+</sup> > Cd<sup>2+</sup> > Pb<sup>2+</sup> ~ Zn<sup>2+</sup> ~ Co<sup>2+</sup> ~ Ni<sup>2+</sup> > Mn<sup>2+</sup> ~ Cr<sup>3+</sup> >> Mg<sup>2+</sup> ~ Ca<sup>2+</sup> ~ Ba<sup>2+</sup>, and it has been related to literature data and to the sitting-atop mechanism that large transition metal ions (e.g., Hg<sup>2+</sup> and Cd<sup>2+</sup>) exhibit in their interaction with the macrocyclic nitrogen atoms of the porphyrin, inducing distortion and accelerating the insertion of smaller metal ions, such as Zn<sup>2+</sup>. For the most relevant metal ions, emission quenching of the porphyrin evidences a linear behavior in the micromolar range, with the emission of the GQDs being moderately affected through a filter effect. Deliberate pollution of the samples with Zn<sup>2+</sup> reveals the ability of the GQDs@TPPS<sub>4</sub> adduct to detect sensitively Cu<sup>2+</sup>, Hg<sup>2+,</sup> and Cd<sup>2+</sup> ions. Porphyrin ; Graphene ; Fluorescence ; Quantum dot ; Supramolecular chemistry ; Ion ; Metal ; Metal ions in aqueous solution ; Materials science ; Nanotechnology ; Photochemistry ; Chemistry ; Molecule ; Physics ; Optics ; Organic chemistry Carbon and Quantum Dots Applications ; Advanced biosensing and bioanalysis techniques ; Molecular Sensors and Ion Detection
Authors: П. С. Смертенко | Z. Maksimenko | Sergii Golovynskyi | A. E. Belyaev
Source: Semiconductor Physics Quantum Electronics & Optoelectronics (article, 2025-06-26)
Field: Materials Science — Materials Chemistry

International Year of Quantum Science and Technology and the SPQEO journal SPQEO Journal and the world physics community jointly mark the 100th anniversary of W. Heisenberg, M. Born, and P. Jordan's development of matrix mechanics, as well as E. Schrodinger's proposal of wave mechanics. This issue of the journal supports the United Nations General Assembly's designation of 2025 as the International Year of Quantum Science and Technology. Through the century-long efforts of outstanding physicists such as A. Einstein, P. Dirac, M. Planck, N. Bohr, M. Born, H. Kramers and many others, the base for the development of quantum technology has been created. Semiconductor-based zero-dimensional (0D), one-dimensional (1D) and two-dimensional (2D) nanostructures, driven by quantum confinement effects, have spurred the rapid development of quantum technology and the creation of materials with fundamentally new properties. The future development of quantum technology, like other technologies, lies in addressing societal challenges such as healthcare, ecology, security, and information dissemination. Quantum technology must possess characteristics such as understandability, specificity, openness, accessibility, responsibility, cultural rootedness, and importance. The SPQEO journal also focuses on current developments in fields such as nanoparticle and nanostructure physics. In recent years, the journal has published articles on semiconductor nanocrystals, quantum dots, thin lattices, and related topics, including their growth, characterization, physical property studies, and theoretical descriptions. Library science ; Engineering ethics ; Engineering physics ; Computer science ; Political science ; Engineering 2D Materials and Applications ; Laser-Ablation Synthesis of Nanoparticles ; Chemical and Physical Properties of Materials
Authors: Tao Wen | Muhammad Zeshan Wakeel
Source: Sustainable Carbon Materials (article, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

Synergistic parameter optimization in electrochemical upcycling of uranyl: mechanisms and perspectives of self-standing COF electrodes Electrode ; Electrochemistry ; Nanoparticle ; Context (archaeology) ; Composite number Radioactive element chemistry and processing ; Advanced oxidation water treatment ; CO2 Reduction Techniques and Catalysts
Authors: Yaqing He | Weiqing Wang | Yingtian Chi | Jiarong Li | Xinyan Zhang | Bowen Liu | Yuanpeng Wang
Source: Scientific Reports (article, 2025-07-01)
Field: Materials Science — Materials Chemistry

Modeling and optimization control of SOEC with flexible adjustment capabilities Due to the random fluctuations in power experienced by high-temperature green electric hydrogen production systems, further deterioration of spatial distribution characteristics such as temperature, voltage/current, and material concentration inside the solid oxide electrolysis cell (SOEC) stack may occur. This has a negative impact on the system's flexibility and the corresponding control capabilities. In this paper, based on the SOEC electrolytic cell model, a comprehensive optimization method using an adaptive incremental Kriging surrogate model is proposed. The reliability of this method is verified by accurately analyzing the dynamic performance of the SOEC and the spatial characteristics of various physical quantities. Additionally, a thermal dynamic analysis is performed on the SOEC, and an adaptive time-varying LPV-MPC optimization control method is established to ensure the temperature stability of the electrolysis cell stack, aiming to maintain a stable, efficient, and sustainable SOEC operation. The simulation analysis of SOEC hydrogen production adopting a variable load operation has demonstrated the advantages of this method over conventional PID control in stabilizing the temperature of the stack. It allows for a rapid adjustment in the electrolysis voltage and current and improves electrolysis efficiency. The results highlighted that the increase in the electrolysis load increases the current density, while the water vapor, electrolysis voltage, and H<sub>2</sub> flow rate significantly decrease. Finally, the SOEC electrolytic hydrogen production module is introduced for optimization scheduling of energy consumption in Xinjiang, China. The findings not only confirmed that the SOEC can transition to the current load operating point at each scheduling period but also demonstrated higher effectiveness in stabilizing the stack temperature and improving electrolysis efficiency. Computer science ; Control (management) ; Artificial intelligence Advancements in Solid Oxide Fuel Cells ; Spacecraft and Cryogenic Technologies ; Advanced Control Systems Optimization
Authors: Junhu Zhou | Xin Qi | John X. J. Zhang
Source: Nanoscale (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Controlled synthesis of metal–insulator–metal nanoparticles for enhanced Raman spectroscopy Surface-enhanced Raman spectroscopy (SERS) is a powerful spectroscopic technique offering non-destructive and ultra-sensitive molecular characterization. Reliable SERS signals are typically generated using patterned metal surfaces or metal nanoparticles, primarily composed of gold (Au) and silver (Ag). However, the extreme spatial confinement required to form these hotspots (less than 5 nm) necessitates a complex fabrication process. Here, we present a novel approach, termed metal-insulator-metal (MIM) nanoparticle-enhanced Raman spectroscopy, which achieves robust Raman signal amplification through nanoparticles comprising a gold core, an ultrathin silica insulating layer, and surface gold satellites. The ultrathin silica layer prevents aggregation, enabling the formation of active SERS regions both between gold nanoparticles and on the outer surface. This configuration provides high-quality SERS spectra for liquid samples without requiring patterned substrates or stringent nanoparticle manipulation. The optimal MIM structure is determined by Finite Element Analysis (FEA) with a 120 nm gold core, a 3 nm silica layer, and a 13 nm surface gold nanoparticle. The detection limit of ciprofloxacin using the MIM nanoprobe is 1 pg mL<sup>-1</sup>. By incorporating theory-guided structure-controlled synthesis, our method significantly enhances the versatility and accessibility of SERS, paving the way for transformative applications in materials science, life sciences, and environmental monitoring. Nanoprobe ; Raman spectroscopy ; Colloidal gold ; Surface-enhanced Raman spectroscopy ; Nanoparticle ; Fabrication ; Metal ; Spectroscopy Gold and Silver Nanoparticles Synthesis and Applications ; Spectroscopy Techniques in Biomedical and Chemical Research