jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Swati Goswami | R.P. Chaudhary
Source: Asian Journal of Chemistry (article, 2026-03-06)
Field: Chemistry — Organic Chemistry

Ultrasound Assisted Synthesis, X-Ray Diffraction, DFT and Antibacterial Studies of Naphthalenyl-hydrazinyl- and Quinazolinyl-thiazole Derivatives Naphthalenyl-hydrazinecarbothioamides 2, obtained from reaction of 1-tetralones (1) and thiosemicarbazide, on condensation with ethyl bromopyruvate under ultrasonic conditions furnished thiazole-4-carboxylates (3). Ultrasound assisted synthesis of quinazoline-thiazole hybrids 5 was achieved from reaction of quinazolinyl-thiones (4) with 3-chloropentane-2,4-dione. The structural elucidation of novel compounds was determined with the help of spectral techniques. X-ray crystallographic studies (SCXRD) of single crystal of thiazole-4-carboxtylate 3a along with supramolecular interactions in crystal packing were also reported. In silico studies of regioisomers 5 and 6 were computed to correlate the experimental and theoretical spectral data. Compound 5a has shown good activity against S. aureus (MIC 25 µg/mL) and E. coli (50 µg/mL) bacterial strains. Supramolecular chemistry ; Structural isomer ; Single crystal ; Condensation ; In silico ; Ultrasound ; Condensation reaction ; Crystal structure Quinazolinone synthesis and applications ; Ultrasound and Cavitation Phenomena ; Multicomponent Synthesis of Heterocycles
Authors: Tishager Taye Teriya | Hirpa G. Lemu | Endalkachew Mosisa Gutema
Source: Fibers (article, 2026-03-24)
Field: Materials Science — Polymers and Plastics

Review on the Current Status of Enset Fiber-Reinforced Polymer Composite: Mechanical Properties, Fabrication, and Applications The objective of this study is to review the literature on the natural resources needed for biodegradable materials underscoring the importance of natural fiber-based composites as a feasible alternative. The review focuses on the pivotal role of natural fiber-based composites in the formulation of industry benchmarks, the challenges associated with application of natural fibers, the application areas, and the mechanical properties as well as the determinants influencing the properties of the composites. The manufacturing methods were discussed and compared. In addition, the study highlights the successful instances where enset fiber-based composites have been adeptly implemented. The study also observed potential areas of future research to improve the performance of enset fiber-reinforced composites including the fabrication techniques and treatments. Hand lay-up and compression molding are the conventionally used composite fabrication methods, while the recent advances in 3D printing for composite fabrication bring new opportunities to solve many of the existing limitations. In addition, most research is currently limited to alkali treatment, whereas other fiber treatment techniques could further improve the mechanical performance by modifying the surface properties and removing the impurities. Moreover, hybridization, orientation of fiber, and addition of nano-particles are observed to have direct impact on the composite properties. The review scrutinizes comprehensive examination of the prevailing landscape and prospective courses for enset fiber applications within the realm of sustainable material science, utilizing diverse processing techniques and applications while pinpointing inherent challenges. Fabrication ; Composite number ; Molding (decorative) ; Natural fiber ; Natural (archaeology) ; Compression molding ; Fiber ; 3D printing Natural Fiber Reinforced Composites ; Electrospun Nanofibers in Biomedical Applications ; Scientific and Engineering Research Topics
Authors: Petteri A. Vainikka | Karen J. Edler
Source: Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences (article, 2026-03-12)
Field: Chemistry — Organic Chemistry

Surfactant self-assembly and micelle elongation in reline: structural basis and driving forces Sodium dodecyl sulfate (SDS) forms elongated micelles in urea:choline chloride deep eutectic solvent (DES), unlike its spherical aggregates in water. To understand the driving forces, we employed a multiscale simulation approach combining coarse-grained (CG) (Martini 3) and backmapped atomistic (CHARMM36) models. Simulations confirmed that micelle elongation increases with higher urea:choline chloride ratios and decreases upon hydration. Structural analysis based on radial distribution functions (RDFs), minimum distance distribution functions (MDDFs) and spatial distribution functions (SDFs) revealed that choline cations displace sodium to dominate the Stern layer, providing primary screening. Crucially, we observed differential head group solvation by DES components based on local curvature: urea preferentially accumulates around the sulfate head groups at high-curvature end-caps, while choline favours the lower-curvature cylindrical body. We conclude SDS elongation in reline results from dominant choline screening modulated by specific, curvature-dependent stabilization of end-caps by urea. This highlights the key role of hydrogen bond donor interactions in controlling surfactant self-assembly in DES. This article is part of the discussion meeting issue 'Ionic liquids and the future of soft materials'. Pulmonary surfactant ; Choline chloride ; Micelle ; Sodium dodecyl sulfate ; Elongation ; Hydrogen bond ; Solvation ; Sodium Surfactants and Colloidal Systems ; Ionic liquids properties and applications ; Supramolecular Self-Assembly in Materials
Authors: Xin Su | Zhili Xiao | Yuanshen Qi | Yaron Amouyal | Nan Wang
Source: Microstructures (article, 2026-04-10)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Determination of electric current induced motion of a symmetrically tilt Σ5 grain boundary in aluminum using quantum transport calculations Electric current induced structural change is a critical reliability issue in nanoelectronics. So far, microstructure evolution models have considered the electromigration (EM) force caused by high current density to be uniform everywhere in the conductor. In this work, the EM force acting on atoms near Σ5 grain boundaries (GBs) of aluminum is calculated for the first time using a quantum transport method. Although the EM forces exhibit a complex distribution near the GB, the regional averaged EM force from GB atoms points toward the opposite direction of the bulk EM force. This striking result leads to GB motion in the direction of the electron current, whereas previous structural evolution models considering uniform EM forces predict GB motion in the opposite direction. This result highlights the necessity to consider the current-induced grain structure evolution at quantum mechanical level since the local EM force on atoms depends on the electron scattering behavior of the GB structure. Electromigration ; Quantum ; Grain boundary ; Scattering ; Electric current ; Current (fluid) ; Electron ; Tilt (camera) Copper Interconnects and Reliability ; Microstructure and mechanical properties ; Carbon Nanotubes in Composites
Authors: Mohammad Jahir Raihan | Zhong Hu | Solaiman Tarafder
Source: Biomimetics (article, 2026-04-01)
Field: Materials Science — Biomaterials

Collagen-Based Microspheres for Biomedical Applications in Drug Delivery and Tissue Engineering Collagen, the most abundant extracellular matrix (ECM) protein, has emerged as a cornerstone biomaterial in drug delivery and regenerative medicine due to its intrinsic biocompatibility, biodegradability, and low immunogenicity. Engineering collagen into microspheres transforms its functionality beyond bulk scaffolds by increasing surface area, enabling minimally invasive delivery, and providing precise control over degradation, mechanical properties, and therapeutic release. This review provides a comprehensive analysis of collagen-based microspheres, with a particular focus on their dual role as biomimetic microenvironments and delivery systems. Recent advances in fabrication strategies, including emulsification, microfluidics, spray-drying, and electrospraying, are discussed in the context of scalability, size control, and payload encapsulation. Composite approaches that incorporate bioactive minerals, polysaccharides, or synthetic polymers are highlighted for their ability to enhance mechanical performance and biological function. We further examine characterization frameworks that link microscale structure and physicochemical properties to biological outcomes, with emphasis on how collagen microspheres replicate key structural, mechanical, and signaling features of native tissue microenvironments. Collagen microspheres have demonstrated broad utility as controlled delivery platforms, cell-instructive microcarriers, and injectable systems for tissue regeneration, including applications in bone, cartilage, skin, and nerve repair, as well as advanced wound care and localized cancer therapy. Finally, we critically assess current challenges related to scalable manufacturing, sterilization compatibility, and batch reproducibility, and outline emerging solutions such as recombinant collagen, advanced biofabrication, and stimuli-responsive systems. Collectively, collagen microspheres represent a powerful and adaptable platform poised to advance next-generation regenerative and therapeutic technologies. Drug delivery ; Regenerative medicine ; Tissue engineering ; Biomaterial ; Microsphere ; Biocompatibility ; Self-healing hydrogels ; Biofabrication ; Context (archaeology) Collagen: Extraction and Characterization ; 3D Printing in Biomedical Research ; Hydrogels: synthesis, properties, applications
Authors: Lorenzo Chiaverini | Lidia Ciccone | Alessandro Marrone | Luca Famlonga | Davide Piroddu | Nicolò Tonali | Iogann Tolbatov | Jürgen Gailer | Tiziano Marzo | Luigi Messori | Diego La Mendola
Source: Frontiers in Chemical Biology (article, 2026-01-15)
Field: Materials Science — Materials Chemistry

From simple to complex: multiscale modeling of metal-mediated protein interactions to uncover mechanistic insights into the action of inorganic drugs This Perspective article explores the crucial role of computational and experimental models in protein metalation studies which is at the heart of advancing inorganic medicinal drugs. The intricate world of protein-inorganic drug interactions poses a significant challenge to computational and experimental characterisation. Indeed, the vast conformational landscapes and dynamic behaviours of proteins demand sophisticated modelling strategies to accurately predict drug behaviour and mechanism of action. Using selected examples, this article demonstrates how research progresses from simple models to increasingly complex systems, thereby facilitating the acquisition of comprehensive mechanistic insights. An effective and pragmatic strategy for navigating this complexity is to deliberately use simple models as steppingstones towards understanding more intricate protein metalation phenomena. This hierarchical modelling paradigm enables researchers to systematically develop an understanding of processes ranging from fundamental atomic interactions to the entire protein-drug dynamic, balancing computational and experimental feasibility with deep mechanistic insight. Simple (philosophy) ; Mechanism (biology) ; Computational model ; Action (physics) ; Multiscale modeling ; Protein–protein interaction ; Perspective (graphical) Enzyme Structure and Function ; Protein Structure and Dynamics ; Bacterial Genetics and Biotechnology
Authors: Naser A. Alsaleh
Source: Journal of Ovonic Research (article, 2026-03-01)
Field: Materials Science — Materials Chemistry

Efficiency Improvement through Electro-Spraying Process of Hybrid SiO2-VO2 Anti-Reflection Coating for Monocrystalline Silicon Photovoltaic Cells Utilizing the incident solar radiation into electrical energy through monocrystalline silicon solar cells has recently gained great interest in the field of advanced manufacturing. Reflection loss is a critical optical loss affecting solar cells performance. Through the process of antireflection coating, some of the scattered incident photons could be transmitted into the solar cells which leads to better utilization of incident light rays and improves efficiency. In the present work, antireflective materials such as SiO2, VO2 and SiO2-VO2 mixture films were coated over the silicon solar cell through an electro-spraying process. Characterization techniques such as XRD, AFM and FESEM were exploited to evaluate the efficiency of the electro-spraying process through the film’s crystalline properties, agglomeration formation and surface property of the films formed over the solar cells. The results demonstrated that SiO2-VO2 blended solar cell showed a minimum reflectance of 6.55% compared to bare cell. After coating the solar cell with SiO2-VO2, it exhibited higher power conversion efficiency of 24.87% under regulated environment. It acquires the narrow length of visible spectrum and serves as a yellow/green filter in visible spectrum. This electrosprayingprocess improves the capability of the cells to transmit the light as in sunlight with uniform radiation. It increased the photon transmission which reached the depletion region. The minimum resistivity of 5.37 × 10-3 Ω·cm was achieved when the electro-sprayingprocess applies a film of SiO2- VO2 blend on the cell, which is lower than all other samples. The electro-spraying process of SiO2- VO2 blend decreased reflection by reducing sunlight scattering. Monocrystalline silicon ; Anti-reflective coating ; Photovoltaic system ; Solar cell ; Plasmonic solar cell ; Solar cell efficiency ; Coating ; Silicon ; Crystalline silicon Chemical and Physical Properties of Materials ; Transition Metal Oxide Nanomaterials ; Electrophoretic Deposition in Materials Science
Authors: Yu Tian | Jianan Wu | Tingting Li | Yilin Zhu | Yanwei Xie | Zerui Yin | Youzhen Ma | Wenlong Du
Source: Frontiers in Cellular and Infection Microbiology (article, 2026-01-12)
Field: Materials Science — Biomaterials

Chitosan–silver nanocomposites: promising alternatives for combating azole-resistant Aspergillus fumigatus This study highlights the potential of Chi-AgNPs as promising alternatives to combat azole-resistant fungal infections. These findings provide a foundation for further development of Chi-AgNPs as novel antifungal agents with broad applicability. Aspergillus fumigatus ; Antifungal ; Antibiotics ; Aspergillosis ; Human pathogen Nanocomposite Films for Food Packaging ; Nanoparticles: synthesis and applications ; Antimicrobial agents and applications
Authors: Salem M. AL-Amri
Source: Frontiers in Plant Science (article, 2026-03-17)
Field: Materials Science — Materials Chemistry

Nano-enabled plant genetic engineering for stress resilience: current advances and future directions Plant productivity and food security are increasingly threatened by abiotic and biotic stresses intensified by climate change. Plant genetic engineering offers powerful solutions to enhance stress resilience; however, conventional transformation approaches remain constrained by limited host range, low precision, tissue culture dependency, and regulatory concerns. In this context, nanotechnology has emerged as a transformative enabling platform for precise, efficient, and species-independent delivery of genetic cargo into plant systems. This review provides a comprehensive overview of recent advances in nano-enabled plant genetic engineering for stress resilience, highlighting the role of diverse nanocarriers, including carbon-based nanomaterials (NMs), metal and metal oxide nanoparticles (NPs), polymer-based nanocarriers, and metal-organic frameworks in delivering DNA, RNA interference constructs, and genome-editing components. These nanoplatforms overcome key biological barriers, protect nucleic acids from degradation, and enable controlled, targeted, and often transgene-free genetic modulation. Beyond delivery, many NMs exhibit intrinsic bioactivity, which can synergistically enhance plant stress tolerance through redox regulation, nutrient supplementation, and activation of stress-responsive pathways. The review also critically discusses regulatory and biosafety challenges associated with nano-enabled delivery systems, emphasizing the need for harmonized frameworks tailored to NMs-specific properties. Finally, future perspectives are outlined, focusing on biodegradable nanocarriers, organelle-specific targeting, and integration with CRISPR-based technologies to advance sustainable, precise, and climate-resilient crop improvement strategies. Biosafety ; Food security ; Vulnerability (computing) ; Abiotic stress ; Biotic stress ; Abiotic component Nanoparticles: synthesis and applications ; CRISPR and Genetic Engineering ; Carbon and Quantum Dots Applications
Authors: Faezeh Mirzajani | Raheleh Ebrahimi | Weria Weisany | Orang Khademi
Source: Scientific Reports (article, 2026-01-30)
Field: Materials Science — Biomaterials

Nano packaging with carbon quantum dots and essential oil nanocapsules prolongs shelf life of fresh cut Kale Postharvest handling of fresh-cut leafy vegetables such as kale poses significant challenges due to rapid spoilage and nutrient degradation. This study explores the effectiveness of two nano-packaging strategies, carbon quantum dot (CQD) coatings and essential oil-based nano-capsules (EO-NCs), in preserving the quality and extending the shelf life of fresh-cut kale up to 40 days of refrigerated storage. CQD-treated samples demonstrated superior performance, exhibiting the lowest weight loss (5.50 g) compared to EO-NC treatments (11.92 g for Thymus daenensis Celak, 12.49 g for Bunium persicum) and the control (27.29 g). CQDs also retained higher levels of chlorophyll (12.61 mg g⁻¹ FW) and ascorbic acid (50.33 mg g⁻¹ FW), surpassing both EO-NC-treated and control samples. Microbial counts were significantly lower in CQD fresh-cut kale (130 CFU/ml), affirming its potent antimicrobial effect compared to EO-NCs and the untreated group (946 CFU/ml). CQDs effectively inhibited oxidative enzymes such as catalase (0.81 U/mg g FW) and polyphenol oxidase (0.79 U/g FW), contributing to reduced browning and spoilage. Antioxidant metrics, including total phenolic content (251.97 µg/ml) and DPPH radical scavenging activity (39.64%), were also enhanced with CQD treatment, highlighting its role in maintaining nutritional quality. While EO-NCs particularly those based on T. daenensis provided moderate preservation benefits, CQDs consistently outperformed them across all parameters. These findings underscore the potential of CQD-based nano-packaging as a promising strategy for enhancing food preservation, reducing waste, and supporting sustainability. Further studies are needed to evaluate commercial scalability, safety, and cost-effectiveness. Shelf life ; Ascorbic acid ; Food spoilage ; DPPH ; Antioxidant ; Polyphenol oxidase ; Postharvest ; Antimicrobial ; Browning ; Polyphenol Nanocomposite Films for Food Packaging ; Postharvest Quality and Shelf Life Management ; Carbon and Quantum Dots Applications
Authors: Jia Chen | Wei Li | JIANG Yaqin | Qichang Xing
Source: Frontiers in Nutrition (article, 2026-04-13)
Field: Chemistry — Organic Chemistry

New directions in mulberry leaf research for diabetes: a translational approach based on multi-component synergy The prevalence of diabetes mellitus is increasing year by year globally, but the existing drugs have limitations, and there is still a great demand for natural, complementary hypoglycemic strategies. Mulberry leaves have a long history of use in traditional Chinese medicine for “Xiaoke.” The aim of this review is to summarize the functional constituents with hypoglycemic potential in mulberry leaves, to explore their multiple mechanisms of action, to evaluate the preclinical and clinical evidence, and to discuss the prospects and challenges of their application as dietary supplements. Mulberry leaves are rich in a variety of functional constituents, which show good potential to assist in glycemic control through multi-target pathways such as inhibition of carbohydrate digestive enzymes, regulation of glucose absorption, improvement of insulin sensitivity, protection of pancreatic β-cells and anti-oxidative stress. However, more high-quality clinical studies are needed to standardize the dosage and formulation. Glycemic ; Diabetes mellitus ; Insulin ; Translational research ; Glycemic index ; Traditional Chinese medicine Carbohydrate Chemistry and Synthesis ; Natural Antidiabetic Agents Studies ; Bioactive natural compounds
Authors: Jierui Fu | Gang Wang | Yingpeng Qi | W. M. He | Yuqiang Fang | Gang Tang | Y.Z. Peng | Dong Wang | Zhenjie Guan | Xuzhou Sun | Shufen Zhang | Zunyi Deng | Yue Liu | Jiapeng Wang | Songge Li | Tao Li | Jinjing Zhou | Yuchen Shang | Yuyi Yin | Zhaoju Yang | Jinzhong Wang | Yang Ding | Dao Xiang | Liang Zhen | Jiawang Hong | Fuqiang Huang | Junhao Lin | Chengyan Xu | Yang Li
Source: Nature Communications (article, 2026-03-19)
Field: Materials Science — Materials Chemistry

Noncollinear ferrielectricity in a van der Waals crystal Inspired by noncollinear magnetic dipole order, noncollinear electric dipole order is anticipated to open up rich ferroelectric physics and new opportunities for device applications. However, establishing such order in single crystals remains challenging, as electric polarization is typically locked to crystallographic axes. Here we report noncollinear ferrielectricity in the van der Waals crystal WO<sub>2</sub>Br<sub>2</sub>, arising from competition between ferroelectric and antiferroelectric phonon modes. The noncollinear dipole order of WO<sub>2</sub>Br<sub>2</sub> is revealed by decoupling the antipolar and the polar displacement components, both of which are directly visualized by scanning transmission electron microscopy. This noncollinear dipole order enables 90° polarization flip under hydrostatic pressure through two energetically degenerate transition pathways. Moreover, ultrafast electron diffraction measurements show that optical excitation drives two distinct coherent phonon modes associated with the ferroelectric and antiferroelectric orders. This work enriches the physics of noncollinear electric dipole order for emergent ferroelectric device applications. Ferroelectricity ; van der Waals force ; Polarization density ; Dipole ; Ultrafast electron diffraction ; Polarization (electrochemistry) ; Tetragonal crystal system ; Electric field 2D Materials and Applications ; Advanced Sensor and Energy Harvesting Materials ; Multiferroics and related materials
Authors: Yunus DEMİR | Müzeyyen Göksel
Source: Journal of Innovative Science and Engineering (JISE) (article, 2026-04-11)
Field: Materials Science — Polymers and Plastics

Processing Time Estimation in the Textile Warp Preparation Shop with Machine Learning Approaches Accurate determination of processing time has critical importance in the production planning process for several reasons, such as effective planning of production resources and ensuring customer satisfaction by meeting due dates. Traditionally, processing time is often determined through time studies or simple calculations and is usually assumed to be known prior to planning. However, in some special cases, processing time varies depending on many parameters. Such a situation occurs in the warp preparation process, which is one of the important steps of woven fabric production. In this study, supervised machine learning approaches were used to estimate the warp preparation process time based on data obtained from the ERP system of the enterprise where the application was implemented. Twelve different supervised machine learning algorithms were applied to both training and test datasets, and the results are presented comparatively. It was observed that boosting algorithms outperform others in terms of both training/tuning time and estimation accuracy. Boosting (machine learning) ; Process (computing) ; Textile ; Supervised learning ; Data processing ; Production planning ; Production (economics) Textile materials and evaluations ; Scheduling and Optimization Algorithms ; Assembly Line Balancing Optimization