jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zhiyong Wu | Hong Shen | Junying Yang | Jiacheng Luo | Jiaxiang Li | Xingran Xu | Jianghao Zhan | Zili Li | Qingshu Dong | Weihua Li | Shisheng Xiong
Source: Macromolecules (article, 2025-09-29)
Field: Materials Science — Materials Chemistry

Tailoring the Morphology Transformation and Simultaneous Generation of Bimodal Patterns through Directed Self-Assembly of Binary Cylindrical Block Copolymer/Homopolymer Blends Lithography with directed self-assembly (DSA) has demonstrated significant potential in fabricating integrated circuits, particularly in logic and memory chips with periodic patterns. However, it is challenging to achieve asymmetrical line patterns with block copolymers (BCPs) that meet the manufacturing requirements of integrated circuits. We propose a binary cylindrical BCP/homopolymer blending strategy to generate asymmetric multiple line patterns. By carefully tailoring the blending rates of homopolymer poly(methyl methacrylate) (hPMMA) with different molecular weights in cylindrical polystyrene-b-poly(methyl methacrylate), we manipulate the morphology transformation, period, and PMMA duty cycle (space width relative to the pitch) of BCP/hPMMA self-assembly. Specifically, we employ a BCP/hPMMA blend to fine-tune the process window of asymmetric multiple line patterns with the aid of PS-affined topographical templates. This approach highlights the superiority of line pattern quality in the blends compared to the symmetric lamellar BCP. Moreover, the simultaneous generation of bimodal line and hole patterns was achieved through a one-step DSA process with one BCP/hPMMA blend. Furthermore, self-consistent field theory simulation was employed to explore the self-assembly of BCP/homopolymer blend in confined guiding templates, and the results were in good consistency with the experimental results. This strategy provides an essential technological platform for the fabrication of asymmetrical line and hole patterns with various resolutions and complex metal layers. Process window ; Binary number ; Lamellar structure ; Lithography ; Consistency (knowledge bases) ; Fabrication ; Line (geometry) ; Block (permutation group theory) ; Transformation (genetics) Block Copolymer Self-Assembly ; Advanced Polymer Synthesis and Characterization ; Machine Learning in Materials Science
Authors: Alice Mischie | Maria Cristina Buta | Bogdan Frecuş | Ana Maria Toader | Fanica Cimpoesu
Source: Computational and Theoretical Chemistry (article, 2025-05-25)
Field: Chemistry — Organic Chemistry

Yet another series of correlations based on harmonic oscillator model of aromaticity (HOMA). In this work, we check the correlation between computed molecular energies and harmonic oscillator model of aromaticity (HOMA) indices, selecting representative series of isomeric polyaromatic hydrocarbons (PAHs) and derivatives. We designed numeric experiments, enforcing, by constrained geometry optimization equal bond lengths, fixed like in the aromatic reference (benzene), along the conjugated perimeter, checking correlation with HOMA. We refined the HOMA parameterization with substituent-dependent increments, based on the observation C 6 X 3 H 3 and C 6 X 6 substituted benzenes show equal bond lengths around the cycle, appearing then aromatic. The high HOMA indices in the full set of substituted benzenes show a facet of aromaticity as relative resistance to substituent effects, a point confirmed from Valence Bond calculations. The HOMA model can be improved by fine-tuned substituent terms, but this does not lead to improved correlation with energy, showing that the scheme reached its limits of interpretation. • HOMA is simplistic, by design, but can yet be polished, at conceptual level. • It is worth to regard HOMA as related with energy criteria of aromaticity. • One may propose unique bond-stretch force constants instead of unique bond length. • Cycles with D 3h symmetry can establish substituent or heteroatom parameterizations. • Valence Bond calculations offer the supreme criteria for resonance stabilization. Chemistry ; Aromaticity ; Series (stratigraphy) ; Harmonic oscillator ; Harmonic ; Computational chemistry ; Quantum mechanics ; Molecule ; Organic chemistry ; Physics Synthesis and Properties of Aromatic Compounds ; Graph theory and applications ; Fullerene Chemistry and Applications
Authors: Rou Wen | Yi‐Ling Chen | Jiale Wang | Weinan Yang | Fang Yang | Qiong Wu | Fuqing Wu | Yan Xu | Guo Qiang Chen
Source: Metabolic Engineering (article, 2025-11-30)
Field: Materials Science — Biomaterials

Pilot production of P(3HB-co-4HB) by engineered Halomonas bluephagenesis harboring an endogenous plasmid grown on glucose Plasmid ; Polyhydroxyalkanoates ; Endogeny ; Metabolic engineering ; Lysis ; Overproduction ; Molar ratio ; Fermentation ; Recombinant DNA biodegradable polymer synthesis and properties ; Microbial Metabolic Engineering and Bioproduction ; Fungal and yeast genetics research
Authors: Malgorzata Kubicka (22063456) | Maja Szymczak (18805253) | Maciej Ptak (1713061) | Damian Szymanski (9378118) | Vasyl Kinzhybalo (2566777) | Marek Drozd (1319544) | Lukasz Marciniak (1815289)
Source: Figshare (article, 2025-08-15)
Field: Materials Science — Materials Chemistry

ModulatingThermometric Performance via Dopant Concentrationand Morphology in a Luminescence Thermometer Exhibiting Dual StructuralPhase Transitions Expanding the operational range of luminescent thermometers that utilize thermally induced structural phase transitions in lanthanide-doped materials necessitates the exploration of novel host matrices with diverse thermal behaviors. In line with this objective, this study offers a comprehensive analysis of the temperature-dependent spectroscopic properties of Li<sub>3</sub>Sc<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub>:Eu<sup>3+</sup>. The findings reveal that the studied material undergoes two reversible phase transitions: the γ<sub>LT</sub> → α/β phase transition at approximately 160 K, followed by a β → γ <sub>HT</sub> transition around 550 K. These transitions are evidenced by notable alterations in the emission spectra and luminescence decay kinetics of Eu<sup>3+</sup> ions. By employing an appropriate luminescence intensity ratio, the sensitivity was determined to be 7.8% K<sup>–1</sup> at 160 K for 0.1% Eu<sup>3+</sup> and 0.65% K<sup>–1</sup> at 550 K for 0.5% Eu<sup>3+</sup>. Furthermore, the study demonstrates that the phase transition temperature in Li<sub>3</sub>Sc<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub>:Eu<sup>3+</sup> can be modulated through variations in dopant ion concentration and annealing conditions, which in turn influence the material’s morphology. These strategies enable the fine-tuning of thermometric performance in phase transition-based luminescent thermometers. To the best of our knowledge, this represents the first report in the literature of a luminescent thermometer exhibiting dual thermal operating ranges. Luminescence ; Dopant ; Phase transition ; Thermometer ; Analytical Chemistry (journal) ; Annealing (glass) ; Phase (matter) Luminescence Properties of Advanced Materials ; Radiation Detection and Scintillator Technologies ; Thermal Expansion and Ionic Conductivity
Authors: Xinyang Liu | Fengyu Wu | Tongbo Zhang | Fenyang Tian | Menggang Li | Weiwei Yang | Yongsheng Yu
Source: Journal of Alloys and Compounds (article, 2025-11-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Enhanced dielectric polarization loss of CoFe2O4/CeO2 @ amorphous carbon sponge-structured nanocomposites enables high-performance electromagnetic wave absorption Nanocomposite ; Dielectric loss ; Dielectric ; Reflection loss ; Impedance matching ; Heterojunction ; Absorption (acoustics) ; Amorphous solid ; Polarization (electrochemistry) Electromagnetic wave absorption materials ; Magnetic Properties and Synthesis of Ferrites ; Metallic Glasses and Amorphous Alloys
Authors: Wei-Jie Zhang (1639576) | Wen-Zhu Sun (21297558) | Ji-Tong Xu (21297561) | Bei-Qi Ou (21297564) | Wan-Qing Zhou (15620189) | Ling Chen (25698) | Jia-Wen Ye (1453867) | Mei Pan (1671040)
Source: Figshare (article, 2025-05-09)
Field: Chemistry — Inorganic Chemistry

Lanthanide AntennaAmplifier Multiplies the OpticalSensing Efficiency in Phototautomeric Metal–Organic Frameworks Metal–organic frameworks (MOFs) incorporating phototautomeric ligands have shown significant potential for new-generation optical sensing devices. It is challenging to enlarge the energy difference of tautomers, which is crucial for improving the sensing efficiency. Herein, we report a novel tactic to amplify the excited-state intramolecular proton transfer (ESIPT) effect via the “antenna effect” in lanthanide sensitization. Specifically, by leveraging the enol (E)–keto (K) phototautomerization process, we achieve precise manipulation of the energy gap between the lowest ligand triplet state and the Eu(III) emitting level through fine-tuning. As a result, the small wavelength shift (10 nm) between the E* and K* emissions is amplified into an approximately 65-fold intensity change in Eu(III) emission. This enhancement is accompanied by a significantly lowered limit of detection (LOD: 0.53 μg/L) and improved sensitivity (0.6955% RH<sup>–1</sup>) in real-time humidity monitoring across a broad linear detection range (0–95.0% RH). Computational simulations and single-crystal analyses demonstrate two key mechanisms: (1) the appropriate hydrophilic/hydrophobic distribution in the MOF cavity facilitates rapid hydration/dehydration and (2) H<sub>2</sub>O desorption/adsorption-dependent ESIPT switching governs the deactivation/activation of the Eu(III) 4f excited state. This work presents an optimization approach to enhance energy utilization in MOF-based optical sensing. Lanthanide ; Sensitivity (control systems) ; Amplifier ; Limit (mathematics) ; Energy (signal processing) ; Excited state ; Range (aeronautics) ; Work (physics) ; Efficient energy use Metal-Organic Frameworks: Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Lanthanide and Transition Metal Complexes
Authors: Shaikha S. AlNeyadi
Source: SSRN Electronic Journal (preprint, 2025-01-01)
Field: Materials Science — Materials Chemistry

Enhanced Iodine Capture Via Covalently Integrated Nh2-Uio-66@Za-Cof Hybrid Structures Covalent bond ; Iodine ; Covalent organic framework ; Chemistry ; Organic chemistry Nuclear Materials and Properties ; Radioactive element chemistry and processing ; Catalytic Processes in Materials Science
Authors: Vincenzo Lettera (7835429) | Valeria Panzetta (4166002) | Filippo Causa (1499047) | Pasqualina Liana Scognamiglio (17734597) | Paolo Antonio Netti (1473400) | Francesco Gentile (500655) | Edmondo Battista (1499050)
Source: Figshare (article, 2025-10-27)
Field: Materials Science — Surfaces, Coatings and Films

Bioactive Topographies:Shaping Cell Behavior with Thermally Patterned Poly(ε-caprolactone) The interface between biomaterials and biological systems critically governs the cellular fate and function. This study presents a straightforward methodology for engineering cell-material interfaces on semicrystalline poly(ε-caprolactone) (PCL) films. Our approach leverages thermomechanical treatments to precisely control the surface presentation of cell-adhesive arginine-glycine-aspartic acid (RGD) peptides. By employing a solvent casting technique, followed by controlled thermal annealing, we successfully fabricated PCL films exhibiting a range of crystallinity levels. This variation in crystallinity allowed for the fine-tuned modulation of RGD peptide density across the PCL surfaces, spanning from 25 to 70 nmol/cm<sup>2</sup>, achieved through consistent aminolysis reaction conditions. Subsequent application of uniaxial stretching induced anisotropic reorientation of these peptides, effectively generating surfaces with defined biochemical patterns capable of directing cellular adhesion, morphology, and orientation. Our results reveal that the surface density of RGD peptides exerts a significant influence on cell behavior measured through the focal adhesion assembly, which is crucial for cell-material interaction and signaling. Furthermore, the peptide density and orientation significantly impacted the cell migration directionality. Through quantitative analysis of cell trajectories obtained via time-lapse microscopy, we demonstrated the ability of these patterned biochemical signals to effectively guide cellular motility along predetermined paths. These findings emphasize the importance of ligand spacing and the synergistic interplay between biochemical and topographical cues in cell-material interactions. Importantly, the developed method is straightforward and highly reproducible with the flexibility to reset and redefine the surface patterns. While primarily conceived as a fundamental approach, it holds potential for scalability and industrial translation thanks to the relatively simple processing of PCL compared to other biopolymers. Crystallinity ; Nanotopography ; Cell adhesion ; Adhesion ; Peptide ; Nano- ; Motility ; Thermal fluctuations Polymer Surface Interaction Studies ; Nanofabrication and Lithography Techniques ; 3D Printing in Biomedical Research
Authors: Yuwei Wang | Wenjuan Dong | Azan Delinuer | Xingang Wang | Wufuer Renaguli | Hao Wang | Chao Ji | Chunwei Song | Jinlong He | Gang Li
Source: Energies (article, 2025-11-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Standard Parameter Generation Strategy for Power Transformer Residual Flux Detection and Verification Platform Residual magnetism in power transformer cores can cause severe inrush currents, threatening grid safety. The accuracy of residual magnetism testers depends on reference values from calibration platforms, yet current calibration platforms suffer from three key limitations: (1) low-precision hysteresis modeling that fails to reflect real magnetic material behavior; (2) unstable generation of residual magnetism reference values; and (3) lack of standardized methods for dynamic inductance adjustment during testing. To address these challenges, this paper proposes a comprehensive reference parameter generation framework for high-accuracy calibration systems. First, an enhanced Preisach-based analytical model is developed using the Everett integral distribution, enabling precise characterization of ferromagnetic hysteresis. Second, a novel “demagnetize-then-magnetize” strategy is introduced to establish stable and repeatable residual flux references: demagnetization is achieved through a semi-cyclically decaying AC excitation over 20 cycles, effectively eliminating initial magnetic history; subsequent magnetization combines full positive/negative saturation pulses with reverse micro-pulse fine-tuning to achieve accurate residual flux control within ±6% error. Third, integrating hysteresis loop features, a dynamic inductance adjustment method is developed using quadratic polynomial fitting of excitation current peaks and normalized inductance. Tests verify that the proposed approach enables the calibration platform to produce high-accuracy, stable residual magnetism and dynamic inductance references, supporting full-condition calibration of test instruments. Residual ; Inductance ; Calibration ; Magnetism ; Control theory (sociology) ; Transformer ; Magnetic flux ; Magnetization ; Traceability Magnetic Properties and Applications ; Power Transformer Diagnostics and Insulation ; Magnetic Field Sensors Techniques
Authors: Han, Fei
Source: Lirias (KU Leuven) (article, 2025-06-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Afstembare Grafeen-metaal Hybride Metaoppervlakken voor Opto-elektronische Toepassingen in het Middel-infrarood Spectrale Gebied Light can be shaped in different ways and forms by means of interference. When scaling down to the micro and nanoscale, light waves in confined nanostructures can present intriguing interference effects that give rise to exotic optical effects. These subwavelength (sub-&lambda;) optical resonator and scatterers are dramatically expanding the toolset of the optical sciences and photonics engineering. By offering the opportunity to control and shape light waves in nanoscale volumes, recent developments using both high-refractive-index dielectric and filter, directional color routers, hyperspectral imagers and biosensors, nonlinear elements and holograms with sub-&lambda; thickness, by converting localized structured light fields at the nanoscale into propagating structured light waves in the far-field. These flat-optical systems are often referred to as metamaterials or metasurfaces and consist of carefully designed and arranged individual resonators or nanoantennas. Often millions working in unison to generate a variety of optical manipulations. The functionality is essentially determined by the light-matter interaction of its constituting building-blocks. These can resonantly or non-resonantly absorb and/or scatter light, change the propagating wave's phase, induce non-linearity such as harmonic generation, etc. Interestingly, we can conveniently control and fine-tune these interactions and electromagnetic properties by changing geometrical parameters (shape and size) and material composition using precise nanofabrication. With this project, the PhD thesis will lay the foundations for next-generation optical devices that will be more performant, more compact, have more functionality, and find widespread applications in communication, optical computing, the life sciences, space exploration, and imaging. Resonator ; Wavefront ; Photonics ; Optical radiation ; Holography ; Electromagnetic spectrum ; Scaling ; Variety (cybernetics) ; Nonlinear optics Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Photonic Crystals and Applications
Authors: Baoju Wang | Xin Zhang | Wenyao Chen | Hongzi Tan | Hailong Liao | Xiangxue Zhang | Dingsheng Wang | Xuezhi Duan | Yong Luo | Jianfeng Chen
Source: Journal of Catalysis (article, 2025-09-08)
Field: Materials Science — Materials Chemistry

Engineering Pt-O coordination microenvironment toward an active, durable, and antipoisoning catalyst in CO oxidation Catalysis ; Hydrocarbon ; Vacancy defect ; Alkali metal ; Electron transfer ; Adsorption ; Platinum ; Oxygen Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Electrocatalysts for Energy Conversion
Authors: Yaqian Zhao | Hailin Wang | Hongmei Huang | Mixue Chen | You‐Wei Wen | Zisheng Xiao | Yi Xiao | Youyu Zhang | Xiaoxiao He | Kemin Wang
Source: Journal of Fluorescence (article, 2025-02-13)
Field: Materials Science — Materials Chemistry

Tuning the Chain Conformation of Pyrenyl-Pyridine Conjugated Oligomer Nanoprobe for Ultrasensitive Fluorescent Assaying of Fe3+ and Ascorbic Acid Chemistry ; Fluorescence ; Conjugated system ; Ascorbic acid ; Pyrene ; Oligomer ; Photochemistry ; Pyridine ; Stacking ; Nanoprobe ; Quenching (fluorescence) ; Combinatorial chemistry ; Polymer chemistry ; Organic chemistry ; Polymer Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Carbon and Quantum Dots Applications
Authors: Jun‐Xian Chen | Xuezhang Xiao | Libo Li | Jinping Li | Rui‐Biao Lin | Xiao‐Ming Chen
Source: Chinese Journal of Structural Chemistry (article, 2025-09-25)
Field: Chemistry — Inorganic Chemistry

Fine-tuning of Hofmann-type metal-organic frameworks for highly efficient separation of C4 olefins Isostructural ; Aqueous solution ; Ternary operation ; Selectivity ; Separation method ; Chromatographic separation ; Porosity Metal-Organic Frameworks: Synthesis and Applications ; Chemical Synthesis and Reactions ; Zeolite Catalysis and Synthesis
Authors: Ethan Pacchini | Daniel A. McNaughton | Albert E. Pye | Katie A. Wilson | Philip A. Gale | Tristan Rawling
Source: Chemical Science (article, 2025-12-02)
Field: Chemistry — Spectroscopy

The role of transmembrane proton transport rates in mild mitochondrial uncoupling by arylamide substituted fatty acids Mitochondrial uncoupling by small molecule protonophores is a promising therapeutic strategy for leading diseases including obesity, diabetes and cancer, however the clinical potential of these agents is complicated by their associated toxicity. Protonophores that exclusively produce mild uncoupling can circumvent toxicity concerns, but these compounds or a framework to guide their design is currently lacking. In this study, we prepared a series of atypical arylamide-substituted fatty acid protonophores and found that specific aromatic substitution patterns can fine-tune their uncoupling activity. Notably, 3,4-disubstituted arylamides were found to increase cellular respiration and partially depolarise mitochondria without compromising ATP production or cell viability. These are hallmarks of mild uncoupling. In contrast, 3,5-disubstituted arylamides mimicked the full uncoupling effects of the classical uncouplers DNP and CCCP. Mechanistic studies revealed a diminished capacity for the 3,4-disubstituted arylamides to self-assemble into membrane permeable dimers in the rate limiting step of the protonophoric cycle. This translated into overall slower rates of transmembrane proton transport, and may account for their mild uncoupling activity. This work represents the first exploration of how proton transport rates influence mitochondrial uncoupling and provides a new conceptual framework for the rational design of mild uncouplers. Uncoupling protein ; Mitochondrion ; Submitochondrial particle ; Uncoupling Agents ; ATP synthase ; Membrane potential ; Transmembrane protein ; Electron transport chain ; Inner mitochondrial membrane Molecular Sensors and Ion Detection ; Adipose Tissue and Metabolism ; Mitochondrial Function and Pathology
Authors: C.L. Zhang | Yingying Zhou | Qian Zhao | Zhaowen Ren | Yikun Yang | Enyuan Zhen | Haonan Du | Chenyu Zhu
Source: Journal of Materials Science Materials in Electronics (article, 2025-09-01)
Field: Materials Science — Materials Chemistry

Enhancing the infrared emitting ability and microwave absorption properties of LaMn1-xTixO3 Emissivity ; Microwave ; Infrared ; Doping ; Absorption (acoustics) ; Dielectric ; Absorption edge ; Band gap Luminescence Properties of Advanced Materials ; Microwave Dielectric Ceramics Synthesis ; Advanced Antenna and Metasurface Technologies
Authors: Min Ruan | Minye Yang | Qing Cao | Wenjie Li | Yanqi Huang | Zehao Lin | Jingyi Lyu | Zeqing Hu | Jing Shuai
Source: Materials Today Physics (article, 2025-12-06)
Field: Materials Science — Materials Chemistry

PbS quantum dots-derived gradient interfaces unify doping and strain for enhanced Bi0.5Sb1.5Te3 thermoelectrics Phonon ; Dopant ; Thermoelectric effect ; Thermoelectric materials ; Doping ; Nanoscopic scale ; Electron mobility ; Quantum dot ; Density functional theory Advanced Thermoelectric Materials and Devices ; Topological Materials and Phenomena ; Thermal properties of materials