jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Kosuke Ishii | Takeshi Ueki | Jun Nakanishi | Kazuhiro Akutsu | Norifumi L. Yamada | Yuko Yokoyama | Tetsuo Sakka | Naoya Nishi
Source: ChemRxiv (preprint, 2025-04-17)
Field: Materials Science — Surfaces, Coatings and Films

Potential-switchable viscoelasticity of protein nanolayers at a liquid/liquid interface Protein nanolayers (PNLs) formed at an electrochemical liquid|liquid interface between water (W) and a fluorous solvent (F) were examined by using interfacial rheological measurement (IRM) and neutron reflectometry (NR) under the externally controlled condition of the phase boundary potential differences E_F^W (=φ^W-φ^F＋const.), where F contained a hydrophobic ionic liquid (IL) as a supporting electrolyte, and W, whose pH was 7.4, contained a protein, bovine serum albumin (BSA). The IRM and NR results illuminated that both static and dynamic properties of the PNL at the electrochemical F|W interface were varied by applying E_F^W. NR found an increase in the adsorption amount of BSA in the PNL at more negative E_F^W, indicating that IL cations on the F side of the F|W interface attracted negatively charged BSA in W. IRM revealed that although the interfacial shear loss moduli G′′ of the PNL was constant regardless of E_F^W, the interfacial shear storage G′ of the PNL increased dramatically at more negative E_F^W, showing a more elastic response. The G′ and G′′ reversibly responded to switching between different potentials (a positive and negative E_F^W). These IRM results unveiled that the viscoelasticity of the PNL at the electrochemical F|W interface is reversibly potential-switchable. The present interface-specific method using the potential control is a new promising method to diversify and switch the PNL structure reversibly. The reversible structural control of the PNL would enable us to perform real-time observation of cells reacting to environmental changes at liquid|liquid interfaces. Viscoelasticity ; Interface (matter) ; Liquid liquid ; Materials science ; Composite material ; Chemistry ; Chromatography ; Wetting Polymer Surface Interaction Studies ; Material Dynamics and Properties ; Force Microscopy Techniques and Applications
Authors: Reginald Tang | Qian Xu | Thomas R. Hoye
Source: Molecules (article, 2025-06-16)
Field: Chemistry — Organic Chemistry

A Case of Competitive Aromatization vs. Sigmatropic [1,5]-Hydrogen Atom Migration in a 1,2,4-Cyclohexatriene Intermediate Derived from a Bis-Enyne Cyclization 1,2,4-Cyclohexatrienes are strained, reactive intermediates often formed by the tetradehydro-Diels-Alder (TDDA) reaction of a conjugated enyne bearing a tethered alkyne as the enynophile. The ene component is commonly the π-bond of an aromatic group. In this focused study, we investigated the reactivity of a symmetrical substrate in which the pair of terminal ene moieties were simple 2-propenyl groups. The intermediate 1,2,4-cyclohexatriene, now bearing a 5-isopropenyl group, underwent competitive aromatization (the most usual outcome of the strain-relieving event of the cyclohexatriene), along with an intramolecular [1,5]-hydrogen atom migration, ultimately producing a non-benzenoid, pyrrole derivative. This represents a previously unknown process for a 1,2,4-cyclohexatriene derivative. Mechanistic aspects of the competitive processes were revealed by experiments performed in the presence of various protic additives (MeOD and BHT). Aromatization ; Sigmatropic reaction ; Enyne ; Chemistry ; Hydrogen atom ; Hydrogen ; Stereochemistry ; Catalysis ; Organic chemistry Cyclization and Aryne Chemistry ; Synthesis and Properties of Aromatic Compounds ; Organic Chemistry Cycloaddition Reactions
Authors: Desislava Petrova | Tsanka Zlateva-Petkova | Angel Lengerov
Source: Environment Technology Resources Proceedings of the International Scientific and Practical Conference (article, 2025-06-08)
Field: Materials Science — General Materials Science

METHODOLOGY FOR VARIANT AND GENERATIVE DESIGN OF MICROCOMPONENTS BASED ON THE CAD SYSTEM "MICROSYS 25" Microsystems engineering (MSE) is becoming increasingly important for the future technical and economic development of the world. The global market for microsystems products is experiencing tremendous growth, with countries such as the USA, Japan and Germany reaching high levels of development and technological development. It is currently a strategic direction that determines the development of human civilization and completely changes the appearance of manufactured products in the 21st century. Microengineering concerns technolo-gies and the practical implementation of three-dimensional structures and elements based on them with dimensions in the order of micrometers (μm). One of its main goals is to integrate microelectronic circuitry with micromechanical three-dimensional structures, by implementing complex integrated complexes called microsystems (MS). The purpose of this report is to present the developed methodology for variant and generative design of the specialized automated system for designing products from Microsystems Engineering "MICROSYS 25". The developed standard technolo-gical process for the production of flat circular membranes with double-sided plugs, by double-sided anisotropic etching, is illustrated. The recording of the generated information and a standard technological process in the relational database of an automated system is presented. The further development of the "MICROSYS 25" project is the development of multiple technological processes for micromechanical elements and components and their recording in the library database and thus optimizing the process of developing new technological processes. CAD ; Engineering drawing ; Generative grammar ; Generative Design ; Computer science ; Engineering ; Software engineering ; Artificial intelligence ; Operations management Material Properties and Applications ; Engineering Technology and Methodologies
Authors: Sorin Vasile Savu | Daniela Tarniţă | Iulian Ştefan | Gabriel Constantin Benga | Ionel Dănuţ Savu | Nicușor-Alin Sîrbu | Ilie Dumitru | Marin Andretti Ciungu | Mihai Ursu | Cristian Cosma
Source: Applied Sciences (article, 2025-04-09)
Field: Chemistry — Organic Chemistry

Research on the Influence of the Defects of Materials on Thermal Runaway in Microwave Hybrid Heating for Sintering Processes Thermal runaway in microwave hybrid heating of ceramics is an unwanted phenomenon which damages the sintered products. The aim of the present study is to establish to what extent the pressing forces of 100, 200 and 300 MPa used in the compaction process and the optimization of the microwave heating mechanism can reduce the occurrence of thermal runaway. Modeling and simulation of temperature distributions alongside defects created by the compaction process are performed in order to evaluate their influence on the stability of MHH. Based on CT scanning, defects with dimensions from 110 to 515 μm are studied in terms of local overheating and how the thermal runaway can lead to internal arc discharge. The results show that samples compacted at 100 MPa and exposed at 600 W injected power reach temperatures peaks around 1010 °C and are affected by major cracks and large melted areas. The samples compacted at 200 and 300 MPa present similar behavior, without arc discharge, but are also affected by cracks. Based on these findings, the MHH process can be applied to sintering processes but with a reduced injected power below 300 W for samples compacted with pressing forces higher than 300 MPa. Thermal runaway ; Materials science ; Microwave ; Microwave heating ; Engineering physics ; Composite material ; Nuclear engineering ; Forensic engineering ; Thermodynamics ; Engineering ; Telecommunications ; Physics Microwave-Assisted Synthesis and Applications ; Advanced materials and composites ; Advanced ceramic materials synthesis
Authors: Andrzej J. Kałka | Aleksandra Orlef | Agnieszka Kaczor | Andrzej M. Turek
Source: Journal of Molecular Structure (article, 2025-08-25)
Field: Chemistry — Spectroscopy

Revealing the impact of the rotational isomerism onto photoluminescent properties of some ortho derivatives of benzophenone • A group of ortho -benzophenone derivatives is subjected to a conformational analysis. • For certain o -BP compounds, two alternative conformations are identified to be stable. • Existence of two distinct conformers, syn and anti, is evaluated spectroscopically. • The unveiled isomers are observed to exhibit different luminescent properties. Benzophenone (BP) scaffold, owing to its highly applicable photo-related properties, has been widespread among many branches of chemical research and industry. While the benzophenone molecule itself has been extensively studied towards the intrinsic mechanisms standing behind its prominent nature, yet its derivatives still tend to be under-explored in this particular regard. Coming across the disclosed imparity, throughout the present paper, a subject of rotational isomerism, anticipated to affect the BP frameworks substituted in the ortho position, is thoroughly investigated. In this respect, a bunch of ortho derivatives of BP are subjected to a systematic analysis carried out via both in silico DFT modeling and spectroscopic measurements (IR, UV–Vis). The obtained results show that the effect of rotamerism indeed applies to the studied group of compounds, as some of them reveal themselves in the form of multiple coexisting conformational isomers. What is more, as the indicated conformers are found to be characterized by substantially different emission profiles, the foregoing phenomenon is disclosed to have quite a remarkable impact onto the photoluminescence of the explored o -BP molecules. Chemistry ; Benzophenone ; Photoluminescence ; Photochemistry ; Computational chemistry ; Organic chemistry ; Optoelectronics Molecular spectroscopy and chirality ; Molecular Spectroscopy and Structure ; Analytical Chemistry and Chromatography
Authors: Andrea Daniela Larrea Solórzano | Iván P. Álvarez-Lizano | Pablo R. Morales-Fiallos | Carolina E. Maldonado-Cherrez | Carlos S. Suárez-Naranjo
Source: Preprints.org (preprint, 2025-06-26)
Field: Chemistry — Analytical Chemistry

Chlorography as a Natural Alternative for Photographic Development in Leaves and Flowers from the Decomposition of Chlorophyll and Natural Pigments This paper explored the use of chlorography as a natural photographic developing technique that utilizes the decomposition of chlorophyll and other plant pigments through the action of sunlight. The developed images corresponded to a previous research process on the changes in the iconography of the Salasaka indigenous people. Therefore, its articulation with this experimental project on natural photography is oriented towards the conservation of the ancestral knowledge of this community and the understanding of the native flora of the Ecuadorian territory. This process investigated the application of the image transfer technique by contact with positive transparencies onto the leaves and flowers of different species that grow in the Ecuadorian highlands, including leaves of vascular species, as well as rose petals. The results showed the obtaining of chlorographs with variable clarity and contrast depending on the plant species and exposure time. It was observed that fruit-bearing species produced more visible images than leaves from other plants and rose petals. The discussion interpreted the findings in relation to the photobleaching of pigments and compared chlorography with other natural photographic processes such as anthotypes. Key factors influencing the process were identified, such as the type of leaf, the intensity and duration of light, and the hydration of the plant material. It was concluded that chlorography is a viable, non-toxic, and environmentally friendly photographic alternative with potential in art, education, and research, although it presents challenges in terms of image permanence and reproducibility. Natural (archaeology) ; Pigment ; Chlorophyll ; Decomposition ; Art ; Botany ; Chemistry ; Biology ; Geography ; Visual arts ; Archaeology ; Organic chemistry Dye analysis and toxicity ; Botanical Research and Applications ; Light effects on plants
Authors: Jia Qiu | Luyao Tang | Wenchao Fu | Qin Li | Deyuan Zhang | Shuhan Wang | Jian Song
Source: Frontiers in Bioengineering and Biotechnology (article, 2025-12-19)
Field: Materials Science — Biomaterials

Enhancing radial strength and expansion uniformity of iron-based vascular scaffolds: a numerical and experimental investigation on topological optimization <i>In vitro</i> expansion experiments confirmed substantially improved expansion homogeneity, while its radial strength (260.07±4.68 kPa) exceeded that of magnesium/polymer scaffolds, achieving parity with CoCr alloy stents. Enhanced expansion homogeneity mitigates coating fracture risks while maintaining clinically sufficient support. Homogeneity (statistics) ; Coating ; Topology (electrical circuits) ; Alloy ; Topology optimization ; Fracture (geology) Magnesium Alloys: Properties and Applications ; Elasticity and Material Modeling ; Advanced materials and composites
Authors: Waree Tiyaboonchai | Panatda Ngammuangman | Suchiwa Pan-On | Duy Toàn Phạm
Source: Journal of Applied Pharmaceutical Science (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Development of niacinamide loaded elastic liposome as a potential transepidermal delivery system Niacinamide (NA), one of the most frequently utilized materials in cosmeceutical areas, possesses a drawback in its ability to penetrate the skin layers. To overcome this, the present study developed and characterized novel NA-loaded elastic liposomes (EL) to enhance the NA transepidermal penetration. The EL were prepared by reverse phase evaporation technique with different NA content of 100, 150, and 200 mg. The developed NA-loaded EL demonstrated mean sizes of ~300 nm, polydispersity indexes of 0.2–0.3, zeta potentials of ~-20 mV, and moderate entrapment efficiencies of up to 40%. The liposome formation was confirmed by a Maltese cross-like structure, observed under polarized light microscopy, with a high elasticity property. Interestingly, the NA-loaded EL showed 100 times greater in-vitro permeation-enhancing effect than the NA cream counterpart. Conclusively, the novel NA-loaded EL have much potential in the transepidermal delivery of hydrophilic molecules, such as NA, across the skin. Niacinamide ; Liposome ; Transepidermal water loss ; Chemistry ; Biomedical engineering ; Medicine ; Biochemistry ; Pathology ; Nicotinamide Polydiacetylene-based materials and applications ; RNA Interference and Gene Delivery ; Lipid Membrane Structure and Behavior
Authors: Md Minhazul Mostafa | Roshlan Rahman Dipto | Abdus Sattar Mollah | S Ahmed
Source: International Journal of Chemical Engineering and Materials (article, 2025-11-19)
Field: Materials Science — Materials Chemistry

Advanced Multilayer Composite Shielding for Spent Nuclear Fuel Casks: Geant4 Simulation and Validation with EpiXS Accurate radiation safety evaluation is essential for the safe transportation and storage of spent nuclear fuel. Conventional approaches, which rely primarily on surface dose measurements or simplified models, often fail to account for the complex particle composition, energy spectra, and spatial flux distribution of highly radioactive spent fuel modules. This study employs the Geant4 Monte Carlo simulation toolkit to analyse the shielding performance of composite materials designed for spent nuclear fuel casks. We validate Geant4’s gamma attenuation predictions against EpiXS data in the energy range 0.1-20 MeV, comparing linear attenuation coefficients and half-value layer (HVL) values for candidate materials. Simulations are performed under environmental conditions representative of Rooppur Nuclear Power Plant in Bangladesh. The results show that the composite designs achieve shielding performance comparable to or superior to conventional materials, with improved reliability and optimized weight. Geant4 predictions closely match EpiXS data across tested energies, demonstrating Geant4’s suitability for detailed radiation safety evaluations in spent nuclear fuel cask design. These findings guide advanced, weight-efficient shielding strategies to enhance safety and cost-effectiveness in nuclear fuel storage and transportation. Deviations between Geant4 and EpiXS results remained within ±2%, confirming strong computational accuracy and supporting the design’s potential for enhanced shielding performance and mass optimization. Spent nuclear fuel ; Electromagnetic shielding ; Monte Carlo method ; Nuclear power ; Spent fuel pool ; Range (aeronautics) ; Reliability (semiconductor) ; Attenuation ; Nuclear fuel Radiation Shielding Materials Analysis ; Nuclear reactor physics and engineering ; Graphite, nuclear technology, radiation studies
Authors: Van-Thuy Phi | Dinh-Truong Do | Hoang-An Trieu | Yuji Matsumoto
Source:  (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

A Hybrid LLM and Supervised Model Pipeline for Polymer Property Extraction from Tables in Scientific Literature Extracting structured information from tables in scientific literature is a critical yet challenging task for building domainspecific knowledge bases.This paper addresses extraction of 5-ary polymer property tuples: (POLYMER, PROP_NAME, PROP_VALUE, CONDITION, CHAR_METHOD).We introduce and systematically compare two distinct methodologies: (1) a novel twostage Hybrid Pipeline that first utilizes Large Language Models (LLMs) for tableto-text conversion, which is then processed by specialized text-based extraction models; and (2) an end-to-end Direct LLM Extraction approach.To evaluate these methods, we employ a systematic, domainaligned evaluation setup based on the expert-curated PoLyInfo database.Our results demonstrate the clear superiority of the hybrid pipeline.When using Claude Sonnet 4.5 for the linearization stage, the pipeline achieves a score of 67.92% F1@PoLyInfo, significantly outperforming the best direct LLM extraction approach (Claude Sonnet 4.5 at 56.66%).This work establishes the effectiveness of a hybrid architecture that combines the generative strengths of LLMs with the precision of specialized supervised models for structured data extraction. Pipeline (software) ; Property (philosophy) ; Extraction (chemistry) ; Scientific literature Machine Learning in Materials Science ; Web Data Mining and Analysis ; Handwritten Text Recognition Techniques
Authors: Danfeng Ye | Rui Jiang | Haiyan Yang | Smruti Ranjan Sahoo | Glib Baryshnikov | Yulong Shi | Ziran Tang | Shan Li | Yunhui Wan | Hans Ågren | Zhensheng Tao | Xudong Wang | Liangliang Zhu
Source: Angewandte Chemie International Edition (article, 2025-10-29)
Field: Materials Science — Materials Chemistry

Photoexcitation‐Induced Chiral Self‐Assembly for Phosphorescence‐to‐Thermally Activated Delayed Fluorescence Transformation Phosphorescence and thermally activated delayed fluorescence are currently two important photophysical pathways that have greatly promoted the development of display, sensing, and bioimaging. However, achieving in situ conversion of these two photophysical pathways within the same molecule is extremely challenging. In this study, we covalently bond chiral donor-acceptor-donor' structures into a photoexcitation-induced aggregated molecule, specifically hexathiobenzene, to achieve this goal through light irradiation. Initially, the target molecules predominantly exhibit phosphorescent properties. Upon photoirradiation, chiral self-assembly occurs within the target molecules, which gives rise to a thermally activated delayed fluorescence (TADF)-dominant emission behavior. This TADF emission relies on a self-assembly structure that can effectively prevent oxygen from quenching triplet excitons, resulting in stronger signal intensity and longer photoluminescence lifetime. Consequently, a real time improvement of time-resolved bioimaging can be achieved with the utilization of our strategy, rendering selectively dynamic control of imaging parameters at the desired time- and spatial resolution. Phosphorescence ; Fluorescence ; Quenching (fluorescence) ; Molecule ; Photoluminescence ; Covalent bond ; Luminescence Luminescence and Fluorescent Materials ; Photochromic and Fluorescence Chemistry ; Supramolecular Self-Assembly in Materials
Authors: P. Vivek | M. Rekha
Source: Research Square (preprint, 2025-05-19)
Field: Chemistry — Physical and Theoretical Chemistry

Bis (4 - methoxybenzylammonium) tetrachloridozincate (MBACZ): opto -electronic applications Materials science ; Computer science Photochemistry and Electron Transfer Studies ; Nonlinear Optical Materials Research ; Oxidative Organic Chemistry Reactions
Authors: Veena B.P. | Mamatha G. Hegde
Source: International Journal of Latest Technology in Engineering Management & Applied Science (review, 2025-06-25)
Field: Materials Science — Polymers and Plastics

A Review on “The Structural Geometry of Textile Fabrics” Abstract: The overall performance and functionality of the textile fabric depend on the geometrical properties of the fabrics. This article explores key geometrical parameters such as yarn density, fabric thickness, fabric structure, GSM of the fabric, texture, etc. Understanding these structural characteristics is essential for the development of innovative fabric design and so influences the end use. The study provides valuable insights for the textile designers and researchers in the selection or development of textile fabrics for the particular functionality. Textile ; Geometry ; Engineering ; Materials science ; Composite material ; Mathematics Textile materials and evaluations ; Dyeing and Modifying Textile Fibers ; Color perception and design
Authors: Xiaodong Zhang | Yao Liu | Guoxian Chen | Shulin Bai | Zhong Li | Fuhui Wang | Dake Xu
Source: Frontiers in Bioengineering and Biotechnology (article, 2025-12-05)
Field: Materials Science — Metals and Alloys

Long-term continuous corrosion of 316L stainless steel by Streptococcus mutans in simulated oral environment <i>S. mutans</i> accelerates pitting corrosion through a "biofilm barrier + localized acid production" mechanism that disrupts the passive film. The long-term corrosion effects are substantially more severe than those observed in short-term experiments. Streptococcus mutans ; Corrosion ; Pitting corrosion ; Mechanism (biology) ; Oral cavity Hydrogen embrittlement and corrosion behaviors in metals ; Corrosion Behavior and Inhibition ; Structural Integrity and Reliability Analysis