jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jinglan Huo | Xiaoyi Huang | Jiangfeng Zhu
Source: Droplet (article, 2025-09-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Bioinspired superwetting SERS substrate based on femtosecond laser processing: Principles, methods, and applications Abstract The growing demand for surface‐enhanced Raman scattering sensors in biochemical detection, environmental monitoring, microfluidics, and other fields has promoted the development of highly sensitive and stable substrates. Femtosecond laser‐fabricated surfaces with controlled wettability, unique micro/nanostructure designs, and tunable extreme wetting properties can significantly enhance the signal amplification and reproducibility of surface‐enhanced Raman scattering techniques. In this review, we offer a comprehensive overview of recent advancements in surface‐enhanced Raman scattering techniques based on superwetting surfaces fabricated by femtosecond laser processing, including fully superhydrophobic surfaces, hybrid wettability surfaces, and visual localization surfaces. The main research areas, such as pattern optimization, dynamic measurements, hot spot enhancement, and stability improvement, are highlighted. We also summarize the practical applications of surface‐enhanced Raman scattering in chemical detection, microfluidic control, medical diagnosis, and food safety evaluation. Finally, the current challenges and limitations in the development of femtosecond laser‐processed superwetting substrates for surface‐enhanced Raman scattering are described. Femtosecond ; Raman scattering ; Laser ; Raman spectroscopy ; Substrate (aquarium) ; Scattering Gold and Silver Nanoparticles Synthesis and Applications ; Surface Modification and Superhydrophobicity ; Orbital Angular Momentum in Optics
Authors: Amirah Abdullah | Auni Fasihah Zamri | Khairunnisa Alias | Nur Munawwarah Azhar | King‐Hwa Ling | Pike-See Cheah | Shahidee Zainal Abidin
Source: Neuroscience Research Notes (article, 2025-02-02)
Field: Materials Science — Biomaterials

Transient prenatal ruxolitinib treatment promotes neurogenesis and suppresses astrogliogenesis during embryonic mouse brain development Ruxolitinib is a Janus kinase (JAK) inhibitor that inhibits the JAK/STAT signalling pathway by targeting JAK1 and JAK2, which are crucial for regulating astrogliogenesis. This study assessed the effect of ruxolitinib (5 and 30 mg/kg/day) on developing mouse brains by administering it to pregnant mice from E7.5 to E20.5. No adverse effects were observed in the treated mice. The brains of P1.5 pups were collected, and RNA was extracted to assess markers of neurogenesis and astrogliogenesis through RT-qPCR. The results revealed a significant decrease in Gfap expression (p&lt;0.0001) in both ruxolitinib-treated groups compared to the control, indicating a suppression of astrogliogenesis. Additionally, S100β expression (p&lt;0.05) was significantly reduced in the 30 mg/kg ruxolitinib-treated group. In contrast, the expression of neuronal markers vGLuT1 (p&lt;0.01) and vGLuT2 (p&lt;0.01) increased significantly in the 30 mg/kg treated group, suggesting enhanced neuronal differentiation. Furthermore, 5 and 30 mg/kg ruxolitinib-treated groups showed a significant increase in GAT1 expression (p&lt;0.01) compared to the control group. A marked decrease in Nestin expression was also observed in the 5 mg/kg (p&lt;0.001) and 30 mg/kg (p&lt;0.0001) treated groups. These findings demonstrate that transplacental administration of ruxolitinib modulates key markers involved in neuronal differentiation and gliogenesis in the developing mouse brain, suggesting its potential use in correcting imbalances in early brain development. Neurogenesis ; Embryonic stem cell ; Ruxolitinib ; Neuroscience ; Transient (computer programming) ; Embryogenesis ; Cell biology ; Biology ; Medicine ; Internal medicine ; Embryo ; Computer science ; Genetics Nanoparticle-Based Drug Delivery ; Neurological Disorders and Treatments ; Neurogenesis and neuroplasticity mechanisms
Authors: Freek van Gorp | Wenfeng Liu | Corentin Coulais | Jorik van de Groep
Source: arXiv (Cornell University) (preprint, 2025-02-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Mechano-optical metasurfaces Tunable metasurfaces enable active and on-demand control over optical wavefronts through reconfigurable scattering of resonant nanostructures. Here, we present novel insights inspired by mechanical metamaterials to achieve giant tunability in mechano-optical metasurfaces where the mechanical metamaterial and optical metasurfaces are integrated in a single nanopatterned material. In a first design, judiciously engineered cuts in a flexible substrate enable large, strain-induced extension of the inter-particle spacing, tuning a high quality-factor resonance in a silicon nanoparticle array across a very broad spectral range. In a second design, we eliminate the substrate and demonstrate a nanopatterned silicon membrane that simultaneously functions as a mechanical metamaterial and an optical metasurface with large tunability. Our results highlight a promising route toward active metasurfaces, with potential applications in tunable filters, reconfigurable lenses, and dynamic wavefront shaping. Optics ; Computer science ; Physics Metamaterials and Metasurfaces Applications ; Optical and Acousto-Optic Technologies ; Thermal Radiation and Cooling Technologies
Authors: Juan Carlos Navarro de Miguel | Teng Li | José Almeida | Javier Ruiz-Martı́nez
Source: ChemCatChem (article, 2025-04-11)
Field: Chemistry — Inorganic Chemistry

Impact of Lewis Acid Sites on the Catalyst Lifetime for Methanol‐to‐Hydrocarbons Over Mg‐Dealuminated BEA Zeolite Abstract In the present work, we show the effect of magnesium incorporation during the methanol‐to‐hydrocarbon (MTH) reaction on partial dealuminated beta zeolite. Based on our findings, we observed an increase in the catalyst lifetime with the increase in Mg concentration as a consequence of the rise in the Lewis acid site population. However, Mg concentrations higher than 1.5 wt% provokes the formation of MgO aggregates, promoting a faster catalyst deactivation. The formation of Lewis acid sites by Mg incorporation limits hydrogen transfer reaction, resulting in a lower selectivity of paraffin and aromatics. Operando UV–vis results show that the hydrocarbon species present a similar nature independent of the Brønsted acid site number, while the concentration differs. Depth analysis of the operando spectroscopy data shows a decrease in the formation rate of polyaromatic species with the Mg incorporation, which correlates with lifetime extension. Zeolite ; Methanol ; Catalysis ; Lewis acids and bases ; Chemistry ; Inorganic chemistry ; Organic chemistry Zeolite Catalysis and Synthesis ; Catalytic Processes in Materials Science ; Catalysis and Hydrodesulfurization Studies
Authors: F.S. Abd El-kawy | Sherief Hammad | Mohamed Talaat | G. Bacher | Mohsen Ghali
Source: Carbon letters (article, 2025-06-13)
Field: Materials Science — Materials Chemistry

Bright white light emitting diodes based on sustainable graphene quantum dots derived from Moringa oleifera leaves as photo-converter layer Abstract The avenue to synthesize eco-friendly and high-performing warm-white light emitting diodes (WLEDs) using quantum-dots for color conversion is challenging. Here, the graphene quantum dots (GQDs) are synthesized from Moringa oleifera leaves without the need of any organic solvents or reducing agents by a one-pot hydrothermal method and utilized for the design of efficient warm WLEDs. The photoluminescence of the obtained GQDs is found to be red-shifted as the excitation wavelength increases. This is ascribed to an excitation of multiple transitions due to various surface traps related to surface amino and oxygen functionalized groups as revealed from X-ray-photoelectron–spectroscopy and FTIR results. Three different concentrations of GQDs are embedded in polyvinyl-alcohol matrix acting as color-converters for the design of WLED devices. By increasing the GQDs concentration, the color correlated temperatures are tuned from 3804 to 2593 K and the luminous efficacy from 39.3 to 71.69 lm/W. Moreover, the chromaticity coordinates of the devices are shifted from (0.3825, 0.3665) to (0.4807, 0.4478). The brightness of the fabricated devices based on these green-GQDs are comparable with those of warm LEDs prepared from chemically synthesized graphene and carbon dots and can be suitable for indoor lighting applications. Graphical abstract Materials science ; Moringa ; Graphene ; Optoelectronics ; Layer (electronics) ; Diode ; Quantum dot ; Composite material ; Nanotechnology ; Food science ; Biology Quantum Dots Synthesis And Properties ; Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications
Authors: Ahmed A. Abu‐hassan
Source: BMC Chemistry (article, 2025-12-01)
Field: Chemistry — Analytical Chemistry

Employing intrinsic fluorone-dye fluorescence in a quenching-based (“on-off”) strategy for diltiazem determination in tablets and capsules A novel green spectrofluorometric method was developed for the quantification of diltiazem hydrochloride (DLZ), a benzothiazepine-class calcium channel blocker with vasodilatory properties. The assay exploits the rapid fluorescence quenching of Acid Red 87-a fluorone-based dye-upon complexation with DLZ in acidic medium (pH 3.8). This "on-off" mechanism enables selective DLZ detection by measuring the decrease in Acid Red 87 native fluorescence intensity (λ<sub>ex</sub>/λ<sub>em</sub> = 302.5/545.8 nm). Key parameters (pH, dye concentration, buffer volume) were systematically optimized, yielding a linear response over 50-1100 ng/mL (r² = 0.9991) with a detection limit of 15.5 ng/mL. The method was rigorously validated per ICH Q2(R1) guidelines, confirming precision (RSD < 2%), accuracy (99.76% % recovery), and robustness. It was successfully applied to analyze DLZ in pharmaceutical formulations (tablets/capsules) with no matrix interference, and the statistical comparison (t- and F-tests) showed no significant difference from the reference method. Critically, the procedure uses distilled water as the sole solvent, aligning with green chemistry principles while offering simplicity, cost-efficiency, and high-throughput potential. Fluorescence ; Detection limit ; Diltiazem hydrochloride ; Distilled water ; Analyte ; Diltiazem ; Quenching (fluorescence) ; Matrix (chemical analysis) Analytical Methods in Pharmaceuticals ; Analytical chemistry methods development ; Pharmacological Effects and Assays
Authors: Yingrun Cai | Yuqing Gao | Ying Pan | Jianqiang Liu | Ke Feng | Pei Chen | Abhinav Kumar | Yujun Zhu | Huan Pang | Fei Ke
Source: Nano Research (article, 2025-09-09)
Field: Chemistry — Inorganic Chemistry

Star-concave iron-metal-organic frameworks with enhanced light trapping for boosting synergistic adsorption-photoreduction of the dominant chromium species Creating a specific shape with hierarchically porous structure of metal-organic frameworks represents an effective strategy to enhance the adsorption and photocatalytic performance yet remains rather challenging. Herein, we present a facile linker competitive coordination induced interface assembly strategy to synthesize a series of star-concave MOFs (Fe-MIL-101) with rich hierarchical pores. This strategy of star-concave Fe-MIL-101 depends on the electronegativity difference of the two linkers to produce an in-situ oriented growth with controllable kinetics nucleation and structural evolution. As a result, the optimized star-concave Fe-MIL-101-2 with multiple physical-chemical effects endows enhanced visible-light trapping, preferred charge separation and optimized the local electronic structure. In comparison with the slightly concave Fe-MIL-101 and solid octahedron Fe-MIL-101-NH<sub>2</sub>, the star-concave Fe-MIL-101-2 displays a clear superiority in the adsorption-photoreduction of Cr(VI) under visible-light irradiation. Furthermore, the X-ray absorption fine structure spectroscopy, Finite Element Method and Density Functional Theory calculations are performed to reveal the local electronic structure of star-concave Fe-MIL-101-2, understanding the mechanisms behind the boosting synergistic adsorption-photoreduction of Cr(VI) removal performance. This work provides a new perspective for the rational construction of MOFs-based photocatalysts with high activity for Cr(VI) removal through shape engineering. Density functional theory ; Nucleation ; Boosting (machine learning) ; Adsorption ; Electronegativity ; Electronic structure ; Octahedron ; Photocatalysis ; Polarization (electrochemistry) Metal-Organic Frameworks: Synthesis and Applications
Authors: Brigitte Walla | Andreas Dietrich | Edwin Brames | Daniel Bischoff | Stefanie Fritzsche | Kathrin Castiglione | Robert Janowski | Dierk Niessing | Dirk Weuster‐Botz
Source: Bioengineering (article, 2025-05-23)
Field: Materials Science — Biomaterials

Application of a Rational Crystal Contact Engineering Strategy on a Poly(ethylene terephthalate)-Degrading Cutinase Industrial biotechnology offers a potential ecological solution for PET recycling under relatively mild reaction conditions via enzymatic degradation, particularly using the leaf branch compost cutinase (LCC) quadruple mutant ICCG. To improve the efficient downstream processing of this biocatalyst after heterologous gene expression with a suitable production host, protein crystallization can serve as an effective purification/capture step. Enhancing protein crystallization was achieved in recent studies by introducing electrostatic (and aromatic) interactions in two homologous alcohol dehydrogenases (<i>Lb</i>/<i>Lk</i>ADH) and an ene reductase (<i>Nsp</i>ER1-L1,5) produced with <i>Escherichia coli</i>. In this study, ICCG, which is difficult to crystallize, was utilized for the application of crystal contact engineering strategies, resulting in ICCG mutant L50Y (ICCGY). Previously focused on the Lys-Glu interaction for the introduction of electrostatic interactions at crystal contacts, the applicability of the engineering strategy was extended here to an Arg-Glu interaction to increase crystallizability, as shown for ICCGY T110E. Furthermore, the rationale of the engineering approach is demonstrated by introducing Lys and Glu at non-crystal contacts or sites without potential interaction partners as negative controls. These resulting mutants crystallized comparably but not superior to the wild-type protein. As demonstrated by this study, crystal contact engineering emerges as a promising approach for rationally enhancing protein crystallization. This advancement could significantly streamline biotechnological downstream processing, offering a more efficient pathway for research and industry. Cutinase ; Crystallization ; Escherichia coli ; Mutant ; Protein engineering ; Heterologous ; Chemistry ; Protein crystallization ; Heterologous expression ; Synthetic biology ; Crystal engineering ; Materials science ; Combinatorial chemistry ; Enzyme ; Crystal structure ; Biochemistry ; Organic chemistry ; Recombinant DNA ; Biology ; Computational biology ; Gene biodegradable polymer synthesis and properties ; Protein purification and stability ; Enzyme Structure and Function
Authors: Paul Fossati
Source: Solid State Ionics (article, 2025-01-10)
Field: Materials Science — Materials Chemistry

Comprehensive assessment of empirical potentials for molecular dynamics simulations of chromia The importance of Cr 2 O 3 (chromia) lies in its ability to form protective layers on chromium-rich metallic alloys, which is utilised in the industry for constructing corrosion-resistant austenitic steels and nickel-based alloys. A better understanding of large defects in Cr 2 O 3 is critical because these defects play a crucial role in the growth kinetics of the protective chromia scale, influencing self-diffusion mechanisms, dominant defect types, and diffusion behaviour, all of which can influence the performance and durability of chromium-based alloys. This study presents a comprehensive evaluation of various empirical potentials for simulating the properties of Cr 2 O 3 in order to determine the best model to use to simulate extended defects. The assessment is focused on structural, thermodynamic, elastic, point defect, and grain boundary characteristics. An extensive literature review was conducted to compile a dataset for validating the available empirical potentials for Cr 2 O 3 from the literature. The evaluation of these empirical potentials provides valuable insights into their strengths and limitations, enabling researchers to make informed decisions when selecting appropriate potentials for simulating various properties of Cr 2 O 3 . This study's findings contribute to the ongoing efforts to improve the accuracy and reliability of computational materials science methods for predicting the behaviour of complex oxides. • Molecular dynamics simulationsusing empirical potentials are a valuable tool to investigate complex diffusion mechanisms. • Many empirical potentials are available for molecular dynamics simulations of chromia. • These potentials were assessed with a focus on their ability to reproduce crystal structures, defects and diffusion. • The most accurate potentials to simulate diffusion and complex defects structures in chromia were determined. Chromia ; Molecular dynamics ; Dynamics (music) ; Chemical physics ; Computational chemistry ; Chemistry ; Statistical physics ; Materials science ; Physics ; Metallurgy ; Chromium Machine Learning in Materials Science ; Thermal and Kinetic Analysis ; X-ray Diffraction in Crystallography
Authors: Muhammad Aamir Abbas | Timothy Ismael | Josh M. Sasson | Owen P. Harris | Matthew D. Escarra
Source: Advanced Materials Interfaces (article, 2025-09-26)
Field: Materials Science — Materials Chemistry

Achieving Direct Bandgap and Optoelectronic Enhancement in Scalable Stacked MoS <sub>2</sub> Monolayers Abstract Near unity photoluminescence quantum yield in monolayer MoS 2 , makes it an excellent candidate for optoelectronic applications. In contrast, bulk MoS 2 experiences a transition from a direct to an indirect bandgap, which diminishes its potential for optoelectronic devices. In this work, the ability to preserve the direct bandgap of MoS 2 while simultaneously enhancing its absorption, mobility, and other optoelectronic properties via stacking monolayers is demonstrated. A scalable method for stacking large‐area monolayer MoS 2 films grown by chemical vapor deposition (CVD) is presented. The approach employs poly(methyl methacrylate) (PMMA) as a carrier polymer and an aluminum mesh to support the films during transfer from the donor to the receiver substrate, maintaining its geometry and preventing folding. The assembled monolayer stacks exhibit a monotonic increase in photoluminescence (PL), absorption, and mobility, while retaining monolayer‐like Raman signatures and a direct bandgap. Notably, a four‐layer stack demonstrates a remarkable increase of more than 225% in PL, 250% in absorption, and 94% in field‐effect mobility compared to single‐monolayer MoS 2 . The preservation of monolayer‐like Raman and direct bandgap behavior in the stacks is attributed to an increased interlayer spacing and twist angle observed between the layers. Monolayer ; Stacking ; Photoluminescence ; Raman spectroscopy ; Band gap ; Direct and indirect band gaps ; Chemical vapor deposition 2D Materials and Applications ; Perovskite Materials and Applications ; Advanced biosensing and bioanalysis techniques
Authors: Samy Hussein | Anja A. Kühl | Laura Golusda | Christina Plattner | Nicole R. Heinze | Gregor Sturm | Christian Freise | Heike Traub | Mathias Schannor | Zlatko Trajanoski | Matthias Taupitz | Britta Siegmund | Daniela Paclik
Source: Frontiers in Nanotechnology (article, 2025-05-23)
Field: Materials Science — Biomaterials

Phenotype and function of human monocytes remain mainly unaffected by very small superparamagnetic iron oxide particles The field of medical application of organic or inorganic nanoparticles is extensive. Medical nanoparticles offer benefits but pose risks. For safe use in diagnostics and therapy, they should be inert, non-immunogenic, non-aggregating, and avoid long-term accumulation in sensitive tissues like bone marrow or the brain. We have developed in-house very small superparamagnetic iron oxide nanoparticles (VSOP), 7 nm in size, which have been successfully used in preclinical magnetic resonance imaging (MRI) to detect intestinal inflammation, neuroinflammation and atherosclerosis. This study examines nanoparticle effects on human blood cells focusing on monocytes in vitro as a first step toward clinical application. Whole blood and monocytes from healthy donors and patients with inflammatory bowel disease were treated with VSOP in vitro and analyzed for changes in their transcriptome, phenotype and function. RNA sequencing of monocytes identified the transferrin receptor as one of the most significantly downregulated genes after VSOP treatment, likely to limit iron uptake. Whereas whole blood RNA sequencing showed significant changes only in three non-coding genes. CyTOF analysis confirmed that VSOP-treated monocytes remain inactive, with no increased proliferation or altered migration. Metabolically, VSOP uptake enhanced the oxygen consumption rate. This effect was likely due to phagocytosis rather than effects mediated by the VSOP itself, as phagocytosis of latex beads showed comparable results. In summary, the analysis of peripheral blood mononuclear cells and monocytes suggests that VSOP treatment has no major impact on immune cell phenotype or function indicating VSOP as a promising diagnostic tool in MRI for inflammatory bowel disease. Phenotype ; Function (biology) ; Superparamagnetism ; Oxide ; Iron oxide ; Cell biology ; Chemistry ; Materials science ; Biology ; Metallurgy ; Biochemistry ; Physics ; Gene Nanoparticle-Based Drug Delivery ; Barrier Structure and Function Studies ; Immune cells in cancer
Authors: Miroslav Šlouf | Pavlína Sikorová | Ewa Pavlová | Małgorzata Świętek | Lénaïc Lartigue | Radim Skoupý | Vladislav Krzyžánek
Source: Microscopy and Microanalysis (article, 2025-05-09)
Field: Materials Science — Surfaces, Coatings and Films

4D-STEM-in-SEM: Changing an SEM Microscope to a User-friendly Powder Electron Diffractometer We describe recent improvements of our method named powder nanobeam diffraction in four-dimensional scanning transmission electron microscopy (4D-STEM/PNBD). The method can change an arbitrary SEM equipped with a 2D-array STEM detector to a user-friendly powder electron diffractometer. It reduces a 4D-STEM dataset to a single 2D powder electron diffraction pattern (using our Python package named STEMDIFF; https://pypi.org/project/stemdiff) and then to 1D radially averaged diffraction profile (using our Python package named EDIFF; https://pypi.org/project/ediff). Moreover, the EDIFF package can compare the final diffractogram with theoretically calculated X-ray diffraction patterns. Both STEMDIFF and EDIFF can be used in the form of simple interactive templates in Jupyter environment, which makes them accessible to common SEM users. The recent improvements in STEMDIFF and EDIFF (better dataset filtering, parallelization, and more flexible user interface) enabled us to analyze not only strongly diffracting nanocrystals but also samples with higher absorption and/or lower diffraction power. The final results obtained from 4D-STEM/PNBD datasets of all six samples analyzed in this contribution (two types of Au nanocrystals, GdF3 and TbF3 aggregates, and Fe3O4 nanoclusters with/without organic shell) were shown to be comparable with the results of the classical TEM/SAED method (selected area electron diffraction in TEM). Diffractometer ; Scanning electron microscope ; Electron microscope ; Materials science ; Environmentally friendly ; Electron ; Composite material ; Optics ; Physics ; Biology ; Nuclear physics Electron and X-Ray Spectroscopy Techniques ; Advanced Electron Microscopy Techniques and Applications ; Anodic Oxide Films and Nanostructures