jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Vojtěch VAŠINA | Ivana Miháliková | Martin Friák
Source: Metal ... (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

NOISY QUANTUM COMPUTING OF ELECTRONIC STRUCTURE OF CRYSTALS Quantum computing is currently emerging as a useful paradigm for solving highly complex computational \nproblems. Current quantum computers are unfortunately too noisy to provide sufficient accuracy, and quantum\nclassical hybrid algorithms emerged as a solution. Variational Quantum Deflation (VQD) has gained significant \nattention for addressing challenges in quantum chemistry, material science, etc. VQDs typically use multiple \noptimization methods, and the correct choice of optimization method can significantly impact performance. In \nour study, we focused on the comparison of multiple optimization methods used in VQD when applied to the \nelectronic structure of crystals. The quantum part of VQD ran on a classical simulator with imported noise \nmodels from real quantum computers from the IBM Quantum Platform. Electronic structure ; Quantum ; Quantum computer ; Quantum dot ; Field (mathematics) ; Noise (video) Advanced Materials and Semiconductor Technologies ; Electric Power Systems and Control
Authors: Ni Kadek Widya Diari Ningsih | Anak Agung Gede Indraningrat | Anak Agung Ayu Lila Paramasatiari | Daegeun Choe
Source: Meditory The Journal of Medical Laboratory (article, 2025-12-23)
Field: Chemistry — Organic Chemistry

GAS CHROMATOGRAPHY-MASS SPECTROMETRY (GC-MS) PROFILING AND ANTIBACTERIAL ACTIVITY OF SECONDARY METABOLITES PRODUCED BY Bacillus sp. SA11 FROM MANGROVE SOIL Background: Bacterial infections are a major global health concern, including in Indonesia. This has led to an increased effort to find new antibacterial compounds in natural resources. Bacillus sp. SA11, with reported antibacterial potential, was previously isolated from mangrove soil in Denpasar, Bali. This study further investigated its antibacterial activity.Methods: Secondary metabolites were extracted from Bacillus sp. SA11 liquid culture using ethyl acetate. The extract was then screened for antibacterial activity against Escherichia coli ATCC 25922, Streptococcus mutans FNCC 0405, Staphylococcus aureus ATCC 25923, and Klebsiella pneumoniae ATCC 70060 using the Kirby-Bauer method (three replicates). The chemical composition of the extract was analysed via GC-MS.Results: The ethyl acetate extract showed inhibition zones for E. coli, S. mutans, S. aureus, and K. pneumoniae of 11.7 ± 1.11 mm, 10.22 ± 1.5 mm, 8.7 ± 0.94 mm, and 7.2 ± 0.67 mm, respectively. GC/MS analysis identified 165 compounds, 20 of them have been previously linked to antibacterial activities. The five most abundant compounds are n-hexadecanoic acid (6.91%), 2-butoxyethyl acetate (6.3%), Bis(2-ethylhexyl) phthalate (4.45%), Phthalic acid, di(2-propylpentyl) ester (4.45%) and Benzene, 1,3,5-trimethyl- (Mesitylene).Conclusion: These findings provide preliminary evidence that Bacillus sp. SA11, isolated from the mangrove ecosystem, has the potential to produce antibacterial compounds. Antibacterial activity ; Escherichia coli ; Staphylococcus aureus ; Ethyl acetate ; Bacteria ; Antibacterial agent ; Phthalic acid ; Klebsiella pneumoniae Antimicrobial agents and applications ; Pharmacology and Nanomedicine Research ; Natural Products and Applications
Authors: Rui Zheng
Source: Highlights in Science Engineering and Technology (article, 2025-07-11)
Field: Chemistry — Organic Chemistry

Innovative Applications of Nanotechnology in Anti-Aging Cosmetics The application of nanotechnology in anti-aging cosmetics has gained significant importance in recent years, offering solutions to the limitations of conventional cosmetics formulations. However, gaps remain in understanding optimal nanoparticles for specific anti-aging applications and useful safety profiles. This paper discusses various nanoparticle systems and their efficacy and advantages in anti-aging cosmetics and their application in anti-aging creams and lotions by analyzing various nanoparticle systems - liposomes, niosomes, and solid lipid nanoparticles - and their specific mechanisms in anti-aging applications. The results of this paper show that liposomes enhance active ingredient delivery through their phospholipid bilayer structure, while niosomes effectively encapsulate antioxidants. These nanostructures overcome traditional formulation challenges by enhancing penetration into deeper skin layers, improving the stability of active compounds, enabling targeted delivery to specific skin places, and allowing the integration of multiple functionalities within single products. Applications in the anti-aging formulation also include advanced moisturizing through occlusive barrier formation, enhanced collagen production via peptide delivery, transparent broad-spectrum UV protection with nano-sized metal oxides, and efficient wrinkle reduction through retinoid delivery systems. The further use of nanoparticles provides a framework for developing next-generation anti-aging cosmetics with enhanced personalization potential while emphasizing the need for safety assessment and regulatory compliance in this rapidly evolving field. Cosmetics ; Nanotechnology ; Materials science ; Chemistry Polydiacetylene-based materials and applications ; Photochromic and Fluorescence Chemistry ; Dyeing and Modifying Textile Fibers
Authors: Tomohiro Furusato | Koki Matano | Tetsushi Okamoto | Ryuji Ikeda | Takumi Iwanaga | Takahiko Yamashita
Source: IEEE Transactions on Dielectrics and Electrical Insulation (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Development of Insulation Degradation Diagnostics for Large-Scale Industrial Motors using Ozone Concentration This study proposes an ozone-based condition monitoring technique to diagnose electrical insulation degradation in large-scale industrial motors. Partial discharges (PDs), particularly external PDs, are significant on the surface of the insulation materials in the stator slots. Ozone generated by the external PDs deteriorates the insulation material surface and simultaneously diffuses inside the motor frame. The amount of ozone generated per unit time represents the activity of the external PDs. The ozone generation and decomposition rates are equal at a steady state; therefore, the ozone generation rate is derived from its concentration and decomposition rate. Moreover, the ozone generation rate is converted into the PD activity index corrected for the relative humidity. It is revealed that the corrected PD activity index corresponding to the inspection result reduces the fluctuation by a maximum of 14.6% compared to the case of ozone concentration. The PD activity index is finally converted into the insulation degradation index, and the progress of the degradation is examined. Ozone ; Degradation (telecommunications) ; Decomposition ; Stator ; Chemical decomposition High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Advanced Battery Technologies Research
Authors: Rui Fausto
Source: Photochemistry and Spectroscopy (article, 2025-12-29)
Field: Materials Science — Materials Chemistry

Launching a New Forum for Light–Matter Science: On the Inaugural Issue of Photochemistry and Spectroscopy Scilight Press is an international academic publisher dedicated to open-access peer-reviewed journals and books. As a global multidisciplinary publisher, we provide a platform for researchers, scholars, and academics to disseminate their work across diverse fields of study. We are committed to advancing knowledge and fostering academic discourse. Multidisciplinary approach ; Work (physics) ; Dissemination ; Spectroscopy Quantum Dots Synthesis And Properties ; Spectroscopy and Quantum Chemical Studies ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Hangbing Zheng
Source: Angewandte Chemie International Edition (article, 2025-10-12)
Field: Chemistry — Physical and Theoretical Chemistry

Haifeng Zheng "If I were not a scientist, I would be a chef-because the core of both roles, to me, lies in experimentation, precision, and the joy of turning raw elements into something meaningful… I can never resist discussing chemistry with a creative student…" Find out more about Haifeng Zheng in his Introducing… Profile. Core (optical fiber) ; Product (mathematics) ; Theme (computing) ; Window (computing) History and advancements in chemistry ; Various Chemistry Research Topics
Authors: Daiqian Wu | Yuanjuan Tang | Xingbing Li | Shiqiang Xiong | Zhen Zhang | Jinjuan Fu
Source: Frontiers in Cardiovascular Medicine (article, 2025-09-29)
Field: Chemistry — Spectroscopy

Characterization of protein lactylation in healthy and ischemic mouse hearts We present the first comprehensive lactylation atlas in healthy and ischemic mouse hearts, offering new avenues to explore MI and cardiovascular diseases. Disease ; Ischemia ; Ischemic stroke ; Ischemic injury ; Heart failure Advanced Proteomics Techniques and Applications ; Peptidase Inhibition and Analysis ; Mitochondrial Function and Pathology
Authors: Miroslav Neslušan | Jozef Veselý | Róbert Čep | Peter Minárik | Jiří Čapek | Martina Jacková
Source: Scientific Reports (article, 2025-10-15)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Role of deformation twins in magnetic heterogeneity of MC 1100 and Barkhausen noise emission This paper deals with the surface heterogeneity in the near-surface region of the high strength low alloyed steel MC 1100. The remarkable surface thermal softening takes place due to decarburization during hot rolling, which in turn avoids very fine short twins within the grain interior during the accelerated cooling. The depth and extent of this twin-free region strongly vary along the sheet width, whereas this effect only fringes along the sheet length. The high sensitivity of the Barkhausen noise technique against the variable depth extent of short twins free region originates from the interaction among the domain walls in motion and lattice imperfection in which very fine short twins play a strong role due to their high pinning strength. The study demonstrates that the influence of residual stresses can be neglected. On the other hand, evolution between the tensile stress and Barkhausen noise is strongly altered as a function of microstructure heterogeneity. For this reason, employing the Barkhausen noise technique to monitor the stress state of components made of MC 1100 in real operation can be a quite complex task. Barkhausen effect ; Barkhausen stability criterion ; Softening ; Residual stress ; Decarburization ; Microstructure ; Deformation (meteorology) ; Ultimate tensile strength Magnetic Properties and Applications ; Microstructure and Mechanical Properties of Steels ; Non-Destructive Testing Techniques
Authors: Jie Zhang | Jinhuan Wei | Xingmao Jiang | Chenyu Wang | Hui Wang | Guihua Wu
Source: Frontiers in Materials (article, 2025-11-03)
Field: Materials Science — Materials Chemistry

A crystal plasticity FEM study on the deformation behaviours of bicrystals composites for potential use as load-bearing implants Metal matrix composites have shown great application potential in biomedical materials due to their excellent integrated properties. The deformation behaviours of metal matrix composites during fabricating and service are complicated. In this study, bicrystals processed by accumulative roll-bonding (ARB) were used as a representative case, and the deformation behaviours were investigated using crystal plasticity finite element method (CPFEM). The used three bicrystals were {112}&amp;lt;111&amp;gt;−{112}&amp;lt;111&amp;gt; (C-C), {112}&amp;lt;111&amp;gt;−{123}&amp;lt;634&amp;gt; (C-S), and {112}&amp;lt;111&amp;gt;−{001}&amp;lt;110&amp;gt; (C-RoCube), and the initial misorientation angles at the interfaces were 0°, 19.4°, and 35.3°, respectively. Pole figures, crystal rotation angles, and misorientation angles were used to characterize the texture evolution, and through-thickness shear strain <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" id="m1"> <mml:mrow> <mml:msub> <mml:mi>γ</mml:mi> <mml:mrow> <mml:mtext>RD</mml:mtext> <mml:mo>−</mml:mo> <mml:mtext>ND</mml:mtext> </mml:mrow> </mml:msub> </mml:mrow> </mml:math> and shear strain on slip systems were adopted to present the plastic deformation. The deformation behaviours in C-S were similar to C-C, due to the small difference in crystal orientations, while the comparison between C-C and C-RoCube shows distinct differences. The texture transition between C and RoCube was observed, and this textural transition altered the activated slip systems. The influence of interfaces on the deformation behaviours of neighbouring regions was strongly dependent on the interfacial misorientation angles. Misorientation ; Slip (aerodynamics) ; Finite element method ; Crystal plasticity ; Deformation (meteorology) ; Plasticity ; Shear (geology) Microstructure and mechanical properties ; Aluminum Alloys Composites Properties ; Metal Forming Simulation Techniques
Authors: Sofia Machado | Catarina Ganilho | Tatiana Andreani | Rose Marie O. F. Sousa | Artur Ribeiro | Ruth Pereira
Source: Frontiers in Toxicology (article, 2025-10-30)
Field: Materials Science — Materials Chemistry

Montmorillonite-based essential oil carrier and its effects on non-target species: an environmental perspective on its risk assessment These findings suggest that the nanoclay-EO formulation did not reduce the toxicity of SM EO, and in some cases, may even raise ecotoxicological concerns, particularly for aquatic and soil invertebrates. This study highlights the importance of detailed ecotoxicological evaluations of biopesticide formulations based on plant-based and materials as essential oils, and other natural materials, as they cannot be assumed as safe compounds. To the best of our knowledge ecotoxicological data is limited for most of the EO including some that already in the market. Based on these results, the concentrations to be tested for efficacy against target organism (safe to non-target organism) should be lower than 0.007 mg mL<sup>-1</sup>. Risk assessment ; Organism ; Perspective (graphical) ; Biopesticide ; Environmental risk assessment Nanoparticles: synthesis and applications ; Insect Pest Control Strategies ; Environmental Toxicology and Ecotoxicology
Authors: Yiting Song
Source: Science and Technology of Engineering Chemistry and Environmental Protection (article, 2025-04-21)
Field: Materials Science — Polymers and Plastics

Application of Graphene Materials in the Textile Field Graphene material is a new type of material with a two-dimensional planar nanostructure, which has been applied in multiple research fields due to its excellent optoelectrical and mechanical properties. This paper compares the differences between graphene materials and traditional materials through literature review; summarizes the research status of graphene-modified cellulose fibers, chemical fibers, and protein fibers in the textile field; and provides examples of the cutting-edge applications of graphene materials in smart textiles and functional textile products. The performance summary includes conductivity, UV resistance, bulletproofing, antibacterial properties, thermal insulation, etc. Combining graphene with textile materials can expand its application range in the civilian field, especially in high-performance fibers, new functional textiles, and smart textiles, where it has broad application prospects. Graphene ; Textile ; Materials science ; Field (mathematics) ; Composite material ; Nanotechnology ; Mathematics Textile materials and evaluations
Authors: Yanico Hadi Prayogo | Rita Kartika Sari | Zety Sharizat Hamidi | Wasrin Syafii | Eva Harlina | Bayu Febram Prasetyo
Source: Jurnal Sylva Lestari (article, 2025-09-26)
Field: Chemistry — Organic Chemistry

Antidiabetic Activities of Agarwood (Aquilaria malaccensis) Leaf Extracts via Enhanced Insulin Secretion in BRIN-BD11 Pancreatic Beta-Cells Agarwood leaves (Aquilaria malaccensis), a non-timber forest products, shows significant potential as a source of antidiabetic compounds. This study aims to evaluate the antidiabetic activity of agarwood leaves and their cytotoxicity on pancreatic beta-cells, as well as predict their compound bioactivity through an in silico approach. The leaves were extracted using ethanol, water, and a mixture of ethanol–water with the assistance of ultrasound irradiation. The extracts were then tested in vitro for their antidiabetic potential by assessing their ability to inhibit the alpha-glucosidase enzyme and their effect on insulin secretion, as well as their cytotoxicity on BRIN-BD11 pancreatic beta-cells. The phytocompounds in the extract were identified using liquid chromatography-mass spectrometry, and their binding behavior was studied by in silico molecular docking. Among the three, the ethanol–water extract showed the highest extraction yield. Cytotoxicity assays revealed that the ethanol–water extract was cytotoxic at high concentrations (1000 µg/mL), but safe at lower concentrations. The alpha-glucosidase inhibition was relatively weak. Nevertheless, the extracts significantly stimulated insulin secretion in BRIN-BD11 cells up to fivefold compared to untreated cells. In silico studies indicated that xanthone glycoside, flavonoid glycoside, and coumarin compounds exhibit strong binding affinities to multiple insulin-secretion-related proteins. These findings suggest that agarwood leaf extract, particularly ethanol–water extract, possesses promising antidiabetic activity through an insulinotropic mechanism. Keywords: agarwood, alpha-glucosidase, insulinotropic, molecular docking Cytotoxicity ; In silico ; Agarwood ; In vitro ; Coumarin ; Flavonoid ; Insulin Wood and Agarwood Research ; Tea Polyphenols and Effects ; Identification and Quantification in Food
Authors: Doğan Doğan
Source: Abant İzzet Baysal Üniversitesi Eğitim Fakültesi Dergisi (article, 2025-09-03)
Field: Chemistry — Physical and Theoretical Chemistry

Trends in Analytical Chemistry Education Research: A Biblometric Analysis Analytical chemistry is a sub-branch of chemistry that focuses on the qualitative and quantitative analyses of chemical compositions of substances. Bibliometric analysis is an important tool to identify research gaps and research trends in a particular field. Although some bibliometric studies focusing on analytical chemistry research have been found in the current literature, no study focused on analytical chemistry education research has been found yet. Therefore, in this study, the current state of analytical chemistry education research was attempted to be revealed through a bibliometric analysis of relevant articles in the Web of Science (WoS) database between 2000 and 2024. The data collection process was conducted in accordance with the current PRISMA standards and a total of 742 articles were included in the scope of the research. The data were analyzed using Microsoft Excel, Harzing's Publish or Perish, VOSviewer, and Biblioshiny software. The results showed that the number of publications has increased significantly since 2010, with a peak of 81 articles in 2021 and 1,916 citations in 2023. The United States was the leading country with 1,061 publications, while the National University of Singapore ranked first among the institutions with 24 articles. The most productive journal was the Journal of Chemical Education, with 693 articles published. The article by Elgrishi et al. (2018) was the most influential article; Endler Marcel Borges was the most prolific author, and the keyword “analytical chemistry” was the most frequently used keyword. Overall, these results show that since the year 2010, there has been a growing interest in analytical chemistry education research. Chemistry ; Engineering ethics ; Management science ; Mathematics education ; Data science ; Engineering physics ; Computer science ; Engineering ; Psychology Various Chemistry Research Topics ; Computational Drug Discovery Methods
Authors: K.S. Rysakova | V.Yu. Novikov
Source: Научное обозрение Биологические науки (Scientific Review Biological Sciences) (article, 2025-01-01)
Field: Materials Science — Biomaterials

APPLICATION OF CHITINOLYTIC ENZYMES FOR MODIFICATION OF CHITIN AND CHITOSAN 1 - ( - Chitin ; Chitosan ; Enzyme ; Polysaccharide ; Hydrolysis Nanocomposite Films for Food Packaging ; Polysaccharides Composition and Applications ; Botanical Research and Applications
Authors: Mitra Dabbagh Hosseini pour | Jaber Jahanbin Sardroodi | Naghmeh Hadidi | Gholamreza Pazuki
Source: Scientific Reports (article, 2025-11-14)
Field: Materials Science — Biomaterials

Detailed atomistic investigation of aggregation and interaction of teriparatide in aqueous media Teriparatide (TPTD), a recombinant peptide used in osteoporosis treatment, exhibits self-association that may lead to immunogenicity and reduced therapeutic efficacy. To investigate its aggregation behavior, we performed molecular dynamics simulations of systems containing 1, 5, and 10 TPTD molecules in water, assessing concentration-dependent effects. Structural and dynamic properties were analyzed using root-mean-square deviation, free energy landscapes, secondary structure probabilities, and Kirkwood-Buff integrals derived from radial distribution functions. The simulations reveal key intermolecular interactions and conformational preferences that drive TPTD self-assembly. Water-mediated hydrogen bonding and hydrophobic contacts were found to modulate aggregation, with notable structural compaction at higher concentrations. These findings provide mechanistic insight into TPTD aggregation and offer guidance for minimizing immunogenic risks in peptide-based therapeutics. Teriparatide ; Molecular dynamics ; Intermolecular force ; Immunogenicity ; Aqueous medium ; Hydrogen bond ; Peptide ; Molecule Supramolecular Self-Assembly in Materials ; Dendrimers and Hyperbranched Polymers ; Protein Structure and Dynamics
Authors: İlker ERZİNCANLI | Fazliye Karabörk
Source: Bitlis Eren Üniversitesi Fen Bilimleri Dergisi (article, 2025-09-30)
Field: Materials Science — Polymers and Plastics

Devulcanization and Characterization of Ground Tire Rubber with Microwave Method The increase in transportation vehicles worldwide has also led to an increase in the production of tires, which are an important part of the vehicle and are used in these vehicles. Industrially, vehicle tires are produced through a process called vulcanization and acquire their high elasticity in this way. However, the sulfur crosslinks formed by the vulcanization process make it very difficult to recycle tire rubber. In the evaluation of vehicle tires that become waste after their service life is completed, direct evaluation, use as an energy source and pyrolysis are used in recycling methods. However, none of these methods aim to recycle tire rubber as a material, that is, to turn it into a re-moldable rubber. In recent years, studies have stated that devulcanization, that is, the breaking of crosslinks, is possible with thermal, mechanical and chemical effects. In this study, ground tire rubber was devulcanized by the microwave method. The aim of this study is to examine the effectiveness of the process by characterizing the ground tire rubber exposed to different microwave durations. For this purpose, the characterization of devulcanized rubber was carried out by soluble fractions, crosslink densities, FTIR analyses and SEM imaging. Natural rubber ; Vulcanization ; Service life ; Characterization (materials science) ; Pyrolysis ; Microwave Polymer Nanocomposites and Properties ; Fiber-reinforced polymer composites ; Natural Fiber Reinforced Composites