jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zhaohui Zhou | Jinmei Lei | Zhaoyang Zhang | Yeyun Chen | Qun Zhang | Gen Li | Shijie Yu | Lu Han | Xuan Zhou | Yi Fan | Ninghong Jia | Bo Zhang | Weifeng Lv | Xu Hou
Source: Nature Communications (article, 2026-01-14)
Field: Materials Science — Materials Chemistry

Antigravity confined interfacial self-assembly approach for the synthesis and characterization of nanofilms Gravitationally induced stratification during self-assembly often leads to density-driven vertical segregation, resulting in an inherent density gradient that severely limits the synthesis of metastable nanofilms requiring inverted architectures. Here we show an antigravity confined interfacial self-assembly approach based on a liquid-liquid interface formed between hydrophilic and hydrophobic porous membranes, where capillary forces suppress gravitational effects to enable precise molecular organization. Experimental data, supported by quantum chemistry, density functional theory, and Fick's first law, demonstrate that capillary forces enhance local concentration and interaction probability, yielding highly ordered, stable nanofilms. Our approach achieves a 17-fold increase in film area than gravity-limited methods and a 109-fold improvement over unconfined techniques. These nanofilms exhibit the stability and mechanical property, showing promise for green enhanced oil recovery and multifunctional material development. Furthermore, our strategy offers a paradigm for nanofilm mechanical characterization, paving the way for future advances in the design and application of nanomaterials. Capillary action ; Metastability ; Porosity ; Characterization (materials science) ; Porous medium ; Density functional theory ; Microfluidics Pickering emulsions and particle stabilization ; Block Copolymer Self-Assembly ; Enhanced Oil Recovery Techniques
Authors: Aleksandrov P.L. | Filippov MK | Gradov OV | Maklakova Ia
Source: Annals of Mathematics and Physics (article, 2026-03-27)
Field: Materials Science — Surfaces, Coatings and Films

Towards YMD (Y-Modulation Detection Algorithms and Devices) Applications in CryoSEM for Surface Studies of Superconductors: Per Aspera ad Astra The use of various electron microscopy techniques to study superconductors has been established since the 1980s, encompassing both high-resolution transmission electron microscopy (HRTEM) and lower magnification scanning electron microscopy (SEM). A significant challenge with these methods is the temperature dependence of imaging within the electron microscope, which necessitates noise reduction and specialized cooling systems, such as Low-Temperature Scanning Electron Microscopy (LTSEM). Programmable stages with temperature stabilization allow for analyzing temperature dependencies similar to studies on dielectric composites and semiconductors. Attempts to replace SEM and HRTEM with simpler scanning probe and tunnelling microscopy methods have not resolved the initial challenges, as they still require advanced cooling setups. The SEM benefits of scanning for large area investigations with satisfactory temporal dynamics are often overlooked. The interaction of the superconductor with the electron beam not only visualizes but can also contrast and modify samples, revealing cooperative or additive defects observable at micro- and mesoscopic levels. Therefore, it is advisable to study the charge structure of the surface of high-temperature superconductors at real temperatures. The proposed methodology involves using Y-modulated detection techniques with JEOL microscopes, applicable in both Charge Collection Scanning Electron Microscopy (CCSEM) and electronic spectroscopy methods. This approach allows for detailed 3D topographical imaging of surface charging structures/textures created by charged structures. Scanning electron microscope ; High-resolution transmission electron microscopy ; Scanning confocal electron microscopy ; Microscopy ; Scanning transmission electron microscopy ; Scanning probe microscopy ; Scanning tunneling microscope ; Resolution (logic) ; Transmission electron microscopy ; Noise (video) Electron and X-Ray Spectroscopy Techniques ; Advanced Electron Microscopy Techniques and Applications ; Force Microscopy Techniques and Applications
Authors: J. Z. Zhang | JiaYue Zhang | Xinyu Wang | Yuxin Jin | Lu Liu | Jianzhong Zhang
Source: RSC Advances (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Color tuning in lanthanide ions doped upconversion nanocrystals Lanthanide ions doped upconversion nanocrystals, capable of changing their dominant emission bands and thus colors, have attracted increasing attention because of their abundant implementation ways, high feasibility, wide tuning range, and finally great application prospects. The unique 4f ladder-like arranged energy levels of lanthanide ions are the key towards their color tuning ability. In this review, we present a summary and discussion on the key aspects of the recent progress in Lanthanide-based color-tunable upconversion nanocrystals, <i>via</i> manipulations of intrinsic properties of nanocrystals as well as external experimental configurations. Benefitting from the multifunctional and versatile luminescence bands, the color-tunable upconversion nanocrystals exhibit great potential in diversities of cutting-edge applications such as display device, advanced anti-counterfeiting, optical coding, thermochromic-based thermometer, bioimaging, biosensing, and multifunctional phototherapy. The prospectives and challenges for the research in color-tunable upconversion nanocrystals are also provided. This review would be helpful in designing and building new lanthanide-based upconversion nanomaterials capable of manipulating more precisely the dominant emission bands and expand their application boundaries. Photon upconversion ; Lanthanide ; Nanocrystal ; Nanomaterials ; Doping ; Ion Luminescence Properties of Advanced Materials ; Luminescence and Fluorescent Materials ; Silicon Nanostructures and Photoluminescence
Authors: Junyi An | Chao Qu | Yunfei Shi | Zhijian Zhou | Fenglei Cao | Yuan Qi
Source: ArXiv.org (article, 2026-03-10)
Field: Materials Science — Materials Chemistry

Equivariant Asynchronous Diffusion: An Adaptive Denoising Schedule for Accelerated Molecular Conformation Generation Recent 3D molecular generation methods primarily use asynchronous auto-regressive or synchronous diffusion models. While auto-regressive models build molecules sequentially, they're limited by a short horizon and a discrepancy between training and inference. Conversely, synchronous diffusion models denoise all atoms at once, offering a molecule-level horizon but failing to capture the causal relationships inherent in hierarchical molecular structures. We introduce Equivariant Asynchronous Diffusion (EAD) to overcome these limitations. EAD is a novel diffusion model that combines the strengths of both approaches: it uses an asynchronous denoising schedule to better capture molecular hierarchy while maintaining a molecule-level horizon. Since these relationships are often complex, we propose a dynamic scheduling mechanism to adaptively determine the denoising timestep. Experimental results show that EAD achieves state-of-the-art performance in 3D molecular generation. Asynchronous communication ; Schedule ; Scheduling (production processes) ; Noise reduction ; Equivariant map ; Hierarchy Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Model Reduction and Neural Networks
Authors: Eleonore Fröhlich
Source: Nanomaterials (article, 2026-02-24)
Field: Materials Science — Biomaterials

Hype vs. Health: How Approved Nanomedicines Have Met (or Missed) Early Predictions Two decades after the first bold proclamations that nanomedicine would deliver "magic-bullet" therapies capable of cell-level targeting, the field stands at a crossroads. While some initial promises (improved delivery of poorly water-soluble drugs and enhanced efficacy and biocompatibility of nano-based devices) have been fulfilled, other early promises (active targeting, biodegradability, multifunctionality, triggered responses, real-time data output, and implantable sensors) remain only partially realized. This article will compare the properties of approved nano-based products to those of the ideal products, assess the shortcomings of existing nano-based products, and discuss critical issues in nanotoxicity (biodistribution and protein corona effects, immune interactions, and biopersistence) and the lack of data on product and end-of-life life cycle analyses. The role of in silico tools in the various steps of nanodrug and nano-based device development and manufacturing-areas in which these tools are the most established (nanocarrier design, prediction of cellular effects, chemical composition optimization, manufacturing, and signal interpretation)-is also addressed. Future goals include biodegradable targeted delivery systems, better tissue integration of implants, and implantable sensors. It is expected that, alongside careful physicochemical characterization of the nanoproduct, toxicity testing focused on nano-specific effects and life cycle analyses of production and end-of-life phases will facilitate the approval of nano-based products. Nanomedicine ; Nanotoxicology ; Product lifecycle ; Biocompatibility ; Field (mathematics) ; New product development Nanoparticle-Based Drug Delivery ; Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications
Authors: Hongwei Ma | Yunhui Meng | Shuqi Zou | Mingyang Wu | Xiaobai Li | Kun Song | Lijia Zhang | Yuling Yang | Alim Abdurahman | Geyu Lu
Source: Research Square (preprint, 2026-01-28)
Field: Materials Science — Materials Chemistry

Closed-to-Open-Shell Molecular Sensing Enables Highly Selective Detection of Chemical Warfare Agents Chemical Warfare Agents ; Analyte ; Chemical sensor ; Fluorescence ; Chemical agents ; Aggregation-induced emission ; Optical sensing Luminescence and Fluorescent Materials ; Polydiacetylene-based materials and applications ; Pesticide Exposure and Toxicity
Authors: Emad M. Abdallah | Abdulrahman Mohammed Alhudhaibi | Ibrahim Mohammed Hussaini | Asmau Nna Sulaiman
Source: Frontiers in Bioengineering and Biotechnology (article, 2026-03-26)
Field: Materials Science — Materials Chemistry

Harnessing biogenic nanoparticles for combating antibiotic resistance: green synthesis, mechanistic insights, and biotechnological applications Antimicrobial resistance (AMR) continues to escalate worldwide, reducing the effectiveness of existing antibiotics and leading to an urgent need for alternative antimicrobial strategies. Biogenic nanoparticles (BNPs) are nanomaterials synthesized using plants, microorganisms, algae, or isolated biomolecules through biologically mediated processes. These green synthesis routes typically produce nanoparticles that are naturally capped with biological compounds such as phytochemicals, proteins, or polysaccharides, which can influence particle stability, surface chemistry, and biological interactions. The current review summarizes recent advances in the biosynthesis of BNPs, focusing on how biological metabolites regulate metal ion reduction, nucleation, growth, and stabilization, thereby shaping nanoparticle size, morphology, and antimicrobial behavior. BNPs including silver, gold, copper oxide, zinc oxide, iron oxide, titanium dioxide, and selenium have been widely investigated for antibacterial activity. Experimental studies indicate that these materials can act through multiple mechanisms, such as disruption of bacterial membranes, generation of reactive oxygen species, interference with metabolic processes, damage to DNA and proteins, inhibition of quorum sensing, and suppression of biofilm formation. Reported activity spans several WHO-priority and ESKAPE pathogens, largely based on <i>in vitro</i> studies and a limited number of preclinical <i>in vivo</i> models. BNPs have also been explored as adjunct platforms in combination with antibiotics, essential oils, or phytochemicals, where synergistic effects may reduce required drug concentrations and improve activity against resistant strains. In parallel, their physicochemical tunability has supported experimental applications in wound-related systems, antimicrobial coatings, drug delivery research, biosensing, and food-packaging materials. Despite these encouraging findings, major challenges remain. Variability in green synthesis protocols leads to inconsistent physicochemical properties, scalability remains limited, and comprehensive long-term toxicological, pharmacokinetic, and environmental safety data are still lacking. Addressing these issues is essential before BNP-based strategies can progress toward regulatory evaluation and clinical use. In conclusion, biogenic nanoparticles represent a promising but still experimental platform that may contribute to future antimicrobial development if supported by standardized synthesis, rigorous safety assessment, and translational research. Antimicrobial ; Biofilm ; Nanoparticle ; Antibiotics ; Biomolecule ; Nanomedicine ; Quorum sensing Nanoparticles: synthesis and applications ; Plant Growth Enhancement Techniques ; Advanced Nanomaterials in Catalysis
Authors: Asma Rehman | Marta Peña Fernández | Kristina K. Beck | Gavin L Foster | Sebastian Hennige | Uwe Wolfram
Source: Advanced Materials (article, 2026-02-25)
Field: Materials Science — Biomaterials

Building like a Coral—Parallelized, Multiscale Biofabrication Visible from space or residing in the depths of the ocean, scleractinian corals engineer vast ecosystems supporting high biodiversity and providing essential ecosystem services. By creating these ecosystems, corals address significant challenges in material science, generating skeletal materials that are stiff, strong, and inherently circular-even in conditions where energy and building resources can be scarce or energetically expensive to synthesize. Understanding coral skeletal materials has progressed due to their exceptional mechanical properties, potential biocompatibility, and, in case of cold-water corals, their ability to be synthesized in darkness, at low temperature, and with limited energy resources. These natural, sustainable processes offer inspiring blueprints for the development of transformative new materials, which may drive radical innovations across biomedical and engineering applications. In this perspective, we synthesize the current state of knowledge on the biomineralization process of corals, including the two prevailing viewpoints-biologically controlled vs. physicochemical controlled biomineralization. We then recast coral growth as a multiscale, parallelized biofabrication process, that can catalyse the development of next-generation materials technologies. These insights outline pathways to sustainable, self-organising, and energy-efficient manufacturing with broad relevance to structural materials, biomaterials, and regenerative engineering. Ultimately, we strive to answer: "How to build like a coral?" Blueprint ; Transformative learning ; Process (computing) ; Biofabrication ; Relevance (law) ; Sustainability ; Biomineralization ; Energy resources ; Ecosystem Calcium Carbonate Crystallization and Inhibition ; Coral and Marine Ecosystems Studies ; Marine Sponges and Natural Products
Authors: Fahmida-E-Karim | Hosne Ara Begum | Md. Redwanul Islam
Source: Advances in Materials Science and Engineering (article, 2026-01-01)
Field: Materials Science — Polymers and Plastics

Natural Fiber‐Reinforced, Natural Resin‐Based Biocomposites: Fabrication, Properties, and Sustainable Applications Natural fiber‐reinforced, natural resin (NFR‐NR)–based biocomposites are a sustainable set of materials developed to offset the ecological and environmental consequences resulting from the use of man‐made composites. The biocomposites are reinforced with the vegetable fibers such as jute, flax, hemp, kenaf, and so on with biodegradable polymeric matrices such as polylactic acid (PLA), starch‐based plastics, soy protein resins, and lignin‐based thermosets. Due to their renewability, low density, biodegradability, and favorable mechanical properties, these materials are gaining significance for use in car parts, construction panels, packaging, and domestic goods. Distinct from the existing literature, the contribution of this review is that there is a systematic linking of processing techniques with properties in fully bio‐based materials in order to provide an application‐oriented overview. Environmental benefits, economic viability, and commercialization aspects are also addressed. Finally, key research gaps and directions for future development are presented to facilitate broader adoption of these green materials. Commercialization ; Natural (archaeology) ; Polylactic acid ; Sustainable development ; Natural materials ; Offset (computer science) Natural Fiber Reinforced Composites ; Nanocomposite Films for Food Packaging ; Lignin and Wood Chemistry
Authors: Jiaxing Yang | Astrid Borchert | Hartmut Kuhn
Source: Journal of Biological Chemistry (article, 2026-02-05)
Field: Chemistry — Inorganic Chemistry

Allosteric properties of mammalian ALOX15 orthologs Lipoxygenases (arachidonic acid lipoxygenase [ALOX]) are non-heme iron-containing dioxygenases that catalyze the oxygenation of polyenoic fatty acid-containing lipids to their corresponding hydroperoxy derivatives. These enzymes are widely distributed in highly developed plants and animals. In bacteria, they rarely occur, but they have not been detected in archaea and viruses. The human genome involves six functional ALOX genes (ALOX15, ALOX15B, ALOX12, ALOX12B, ALOXE3, and ALOX5) encoding for six different isoenzymes. The mouse genome carries an orthologous gene for each human ALOX gene, but in addition, an Aloxe12 gene has been identified in this species. The application of isoenzyme-specific loss-of-function strategies suggested that the coding multiplicity may not be interpreted as a sign of functional redundancy. In fact, the different isoenzymes apparently fulfill different biological functions. Mammalian ALOX15 orthologs are allosteric enzymes, but the molecular basis for their allosteric properties remains controversial. In fact, two alternative hypotheses (the presence of allosteric binding sites at enzyme monomers versus ALOX15 dimers consist of an allosteric and a catalytic monomer) have been introduced, and this review is aimed at critically evaluating the pros and cons of these two mechanistic scenarios. Allosteric regulation ; Gene ; Enzyme ; Thermophile ; Archaea ; Allosteric enzyme Metal-Catalyzed Oxygenation Mechanisms ; Hemoglobin structure and function ; Insect-Plant Interactions and Control
Authors: Wenping Chen | Ziyun Zhang | Feipeng Zheng
Source: ArXiv.org (article, 2026-03-23)
Field: Materials Science — Materials Chemistry

Interlayer-coupling-driven stabilization and superconductivity in bilayer CoTe$_2$ Interlayer coupling plays a critical role in van der Waals materials by governing lattice stability and emergent quantum phases, yet its impact on few-layer hexagonal CoTe$_2$ remains unclear. Here, using first-principles calculations, we systematically investigate monolayer and bilayer CoTe$_2$ with an emphasis on their electronic structures, lattice dynamics, and electron-phonon coupling, and elucidate the underlying mechanisms driven by interlayer interactions. Our results show that monolayer CoTe$_2$ exhibits pronounced dynamical instability at low temperatures, whereas interlayer coupling stabilizes the bilayer crystal structure and gives rise to phonon-mediated superconductivity with a predicted critical temperature of about $4.7$~K. The stabilization and superconductivity in bilayer CoTe$_2$ are primarily attributed to interlayer-coupling-induced Te-$p_z$ charge redistribution and the associated modification of the Fermi surface and electron-phonon coupling. Finally, we discuss how spin-orbit coupling in bilayer CoTe$_2$ weakens the EPC and suppresses superconductivity. Our work clarifies how interlayer coupling can jointly tune structural stability and superconductivity in few-layer CoTe$_2$, providing insights for engineering quantum phases in layered transition-metal dichalcogenides. Bilayer ; Superconductivity ; Monolayer ; van der Waals force ; Lattice (music) ; Coupling (piping) ; Instability ; Fermi surface 2D Materials and Applications ; Iron-based superconductors research ; Chemical and Physical Properties of Materials
Authors: Qisong Hu | Steven Brockötter | Jean-Paul Lange | M.Pilar Ruiz | Christian Struck | Frederik R. Wurm
Source: Polymer (article, 2026-01-31)
Field: Materials Science — Polymers and Plastics

Renewable coatings from liquefied wood: Linking epoxide structure to material properties and chemical recyclability The heavy fraction of liquefied wood (LW) serves as a promising renewable precursor for polymeric coatings. Owing to its inherent brittleness and relatively low molecular weight, LW requires crosslinking to form durable films. Previous work demonstrates that LW is curable with bio-based glycerol diglycidyl ether (GDE), yielding wood coatings with favorable properties and recyclability. In this study, we systematically studied two additional, structurally distinct epoxides: bisphenol A diglycidyl ether (BDE), the widely used commercial aromatic standard, and poly(ethylene glycol) diglycidyl ether (PDE), which contains long, flexible aliphatic ethers. These chemical differences enable a rigorous investigation of how epoxide structure influences curing behavior, material properties, and circularity. Fourier-transform infrared spectroscopy and differential scanning calorimetry confirm successful crosslinking. Analysis of gel content, thermal stability, and nanoindentation reveals dramatic structural effects: BDE produces rigid, dense networks, increasing the glass transition temperature ( T g​) up to 83°C (vs. LW at ∼31°C) and maintaining approximately 50% gloss retention after 2.5 month of accelerated weathering. In contrast, PDE leads to soft films exhibiting substantial hydrogel-like swelling, with water uptake reaching 207wt%. Recycling studies via liquefaction verify that both LW–BDE and LW–GDE coatings are chemically recyclable. The LW–PDE system, due to its low crosslink density (gel content below 12wt%), remains soluble and is easily recovered in solution form. These results collectively demonstrate that the choice of epoxide allow to tune the property profile of LW-based renewable coatings while fully preserving their end-of-life circularity. • Liquefied wood is crosslinked with different epoxides to form coatings. • Epoxide structure affects coatings’ crosslinking, hardness, and water affinity. • Bisphenol A diglycidyl ether-based coatings show higher gloss retention under artificial weathering. • Liquefied wood–epoxide coatings demonstrate potential for chemical recyclability. Epoxide ; Diglycidyl ether ; Curing (chemistry) ; Differential scanning calorimetry ; Epoxy ; Glass transition ; Bisphenol A ; Polymer ; Dynamic mechanical analysis Polymer composites and self-healing ; Lignin and Wood Chemistry ; Nanocomposite Films for Food Packaging
Authors: Marlen Neubert | Patrick Reiser | Frauke Gräter | Pascal Friederich
Source: Digital Discovery (article, 2026-01-01)
Field: Chemistry — Inorganic Chemistry

Learning potential energy surfaces of hydrogen atom transfer reactions in peptides We build a DFT dataset for peptide hydrogen atom transfer and train atomistic ML potentials to learn reactive potential energy surfaces, enabling accurate reaction barrier prediction from energy evaluations. Hydrogen atom ; Atom (system on chip) ; Energy transfer ; Hydrogen ; Potential energy ; Potential energy surface Metal-Catalyzed Oxygenation Mechanisms ; Molecular Junctions and Nanostructures ; Redox biology and oxidative stress