jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Trong Danh Nguyen | Jun Seop Lee
Source: Polymers (review, 2025-02-09)
Field: Materials Science — Biomaterials

Dynamic Bonds in Biopolymers: Enhancing Performance and Properties As the demand for polymer materials increases, conventional petroleum-based synthetic polymers face several significant challenges, including raw material depletion, environmental issues, and the potential for biotoxicity in biological applications. In response, bio-based polymers derived from natural sources, such as cellulose, alginate, chitosan, and gelatin, have garnered attention due to their advantages of biocompatibility and biodegradability. However, these polymers often suffer from poor physical stability due to the high density of hydrogen bonds and the large structure of pyranose rings. This review explores the potential of incorporating dynamic covalent bonds into biopolymers to overcome these limitations. The chemical structures of biopolymers contain numerous functional groups that can serve as anchoring sites for dynamic bonds, thereby enhancing the mechanical properties and overall stability of the polymer network. The review discusses the performance improvements achievable through dynamic covalent bonds and examines the future potential of this technology to enhance the physical properties of biopolymers and expand their applicability in biological fields. Polymer ; Covalent bond ; Biocompatibility ; Materials science ; Nanotechnology ; Hydrogen bond ; Cellulose ; Polymer science ; Biopolymer ; Biodegradation ; Biomolecule ; Chemical engineering ; Biochemical engineering ; Chemistry ; Organic chemistry ; Molecule ; Composite material biodegradable polymer synthesis and properties ; Polymer composites and self-healing ; Hydrogels: synthesis, properties, applications
Authors: Md. Naim Mahmud | Mohammad Mahfujul Haque
Source: Aquaculture Research (review, 2025-01-01)
Field: Materials Science — Materials Chemistry

Reassessing the Role of Nanoparticles in Core Fields of Aquaculture: A Comprehensive Review of Applications and Challenges The application of nanoparticles (NPs) in aquaculture has emerged as a promising frontier to enhance productivity, sustainability, and environmental stewardship. This comprehensive review explores the integration of NPs across core fields of aquaculture, including nutrition, health management, water treatment, breeding performance, sex manipulation, and waste management. NPs offer innovative solutions for improving fish growth rates, enhancing feed efficiency, and providing targeted drug delivery systems (DDSs) to combat diseases. The antimicrobial properties of NPs effectively target and eliminate bacterial, viral, and fungal infections. NPs play a critical role in improving water quality by removing pollutants and pathogens, promoting a healthier aquaculture environment. They also aid in waste management by breaking down and recycling waste, reducing the ecological footprint of aquaculture. However, concerns about the toxicity of NPs present significant challenges. Future directions point to the importance of thorough risk assessments, the establishment of regulatory guidelines, and the adoption of sustainable approaches to fully leverage the advantages of NPs in aquaculture. Further research is essential to understand the long‐term impacts and safety of NPs in aquatic ecosystems. Addressing the issues above, the aquaculture industry can leverage NPs to adopt more sustainable and efficient practices, ensuring both food security and environmental protection. Biology ; Aquaculture ; Core (optical fiber) ; Nanotechnology ; Biotechnology ; Biochemical engineering ; Fishery ; Fish <Actinopterygii> ; Engineering ; Materials science Nanoparticles: synthesis and applications ; Advanced Nanomaterials in Catalysis ; Graphene and Nanomaterials Applications
Authors: Norah O. Alotaibi | Heider A. Abdulhussein | Shatha M. Alamri | Noorhan Ali Hamza | Abbas H. Abo Nasria
Source: RSC Advances (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Computational insights into the physico-chemical properties of pure and single-atom copper–indium sub-nanometre clusters: a DFT-genetic algorithm approach Catalysis involving Cu-In nanoparticles represents an exciting area of technological advancement. However, our fundamental grasp of the mechanisms governing mixing within Cu-In clusters at the sub-nanometer scale and their gas-phase physicochemical properties remains inadequate. We have determined the global minima for gas-phase Cu-In clusters containing 3 to 10 atoms using the Mexican Enhanced Genetic Algorithm in conjunction with density functional theory. Simulations were also conducted for Cu and In atoms and their dimers at the same theoretical level. Comparative analyses were performed between mixed Cu-In systems and their pure counterparts, with pure Cu and In clusters being modeled up to 13 atoms. The findings indicate a 2D-3D transition for pure Cu clusters at 7 atoms, while for pure In clusters, this transition occurs at 5 atoms. For Cu-In nanoalloys, both cluster size and doping have been found to significantly and non-linearly impact cluster structures. Stability assessments, including binding energies, second differences in energy, and mixing energies, were used to evaluate the energetics, structures, and segregation tendencies of sub-nanometer Cu-In clusters. The most stable composition, as indicated by mixing energies, is achieved when the Cu to In ratio is equal or nearly equal. The HSE06 spin-projected band structure reveals that In<sub>4</sub>Cu<sub>1</sub> displays magnetic properties akin to monometallic In<sub>5</sub>. Conversely, the spin-projected band structure and partial density of states (PDOS) analysis for bimetallic Cu<sub>7</sub>In<sub>1</sub> show that the cluster is non-magnetic. Analysis of the topological parameters of Cu-Cu, In-In, and Cu-In bonds in bimetallic clusters, using the Quantum Theory of Atoms in Molecules (QTAIMs), indicates that these interactions are not purely closed-shell but involve significant covalent contributions. Nanometre ; Indium ; Atom (system on chip) ; Copper ; Materials science ; Nanotechnology ; Chemical physics ; Computational chemistry ; Statistical physics ; Chemistry ; Algorithm ; Computer science ; Physics ; Metallurgy ; Parallel computing Machine Learning in Materials Science ; nanoparticles nucleation surface interactions ; Nanocluster Synthesis and Applications
Authors: Tinna Pálmadóttir | Josef Getachew | Lei Ortigosa-Pascual | Emil Axell | Jiapeng Wei | Ulf Olsson | Tuomas P. J. Knowles | Sara Linse
Source: Biophysics Reviews (review, 2025-01-29)
Field: Materials Science — Biomaterials

On the reversibility of amyloid fibril formation Amyloids are elongated supramolecular protein self-assemblies. Their formation is a non-covalent assembly process and as such is fully reversible. Amyloid formation is associated with several neurodegenerative diseases, and the reversibility is key to maintaining the healthy state. Reversibility is also key to the performance of fibril-based biomaterials and functional amyloids. The reversibility can be observed by a range of spectroscopic, calorimetric, or surface-based techniques using as a starting state either a supersaturated monomer solution or diluted fibrils. Amyloid formation has the characteristics of a phase transition, and we provide some basic formalism for the reversibility and the derivation of the solubility/critical concentration. We also discuss conditions under which the dissociation of amyloids may be so slow that the process can be viewed as practically irreversible, for example, because it is slow relative to the experimental time frame or because the system at hand contains a source for constant monomer addition. Monomer ; Amyloid fibril ; Fibril ; Chemistry ; Dissociation (chemistry) ; Amyloid (mycology) ; Protein aggregation ; Supersaturation ; Polymer ; Amyloid β ; Organic chemistry ; Biochemistry Supramolecular Self-Assembly in Materials ; Protein Structure and Dynamics ; Alzheimer's disease research and treatments
Authors: Minggao Feng | Chengxi Zhao | Graeme M. Day | Xenophon Evangelopoulos | Andrew I. Cooper
Source: Chemical Science (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

A universal foundation model for transfer learning in molecular crystals The physical and chemical properties of molecular crystals are a combined function of molecular structure and the molecular crystal packing. Specific crystal packings can enable applications such as pharmaceuticals, organic electronics, and porous materials for gas storage. However, to design such materials, we need to predict both crystal structure and the resulting physical properties, and this is expensive using traditional computational methods. Machine-learned interatomic potential methods offer major accelerations here, but molecular crystal structure prediction remains challenging due to the weak intermolecular interactions that dictate crystal packing. Moreover, machine-learned interatomic potentials do not accelerate the prediction of all physical properties for molecular crystals. Here we present Molecular Crystal Representation from Transformers (MCRT), a transformer-based model for molecular crystal property prediction that is pre-trained on 706 126 experimental crystal structures extracted from the Cambridge Structural Database (CSD). MCRT employs four different pre-training tasks to extract both local and global representations from the crystals using multi-modal features to encode crystal structure and geometry. MCRT has the potential to serve as a universal foundation model for predicting a range of properties for molecular crystals, achieving state-of-the-art results even when fine-tuned on small-scale datasets. We demonstrate MCRT's practical utility in both crystal property prediction and crystal structure prediction. We also show that model predictions can be interpreted by using attention scores. Foundation (evidence) ; Transfer of learning ; Modal ; Transfer (computing) ; Computer science ; Materials science ; Artificial intelligence ; Political science ; Polymer chemistry ; Law Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Crystallography and molecular interactions
Authors: Xiangyu Yin | Zongrui Zheng | Yixuan Chen | Yue Zhang | Linxi Hou
Source: Small (article, 2025-01-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

2D/1D Hierarchical Hollow NiO@PPy Composites with Tunable Dielectric Properties for Enhanced Electromagnetic Wave Absorption The development of diverse microstructures has substantially contributed to recent progress in high-performance electromagnetic wave (EMW) absorption materials, providing a versatile platform for the modulation of absorption properties. Exploring multidimensional microstructures and developing tailored and gentle strategies for their precise optimization can substantially address the current challenges posed by relatively unclear underlying mechanisms. Here, a series of 2D/1D heterogeneous NiO@PPy composites featuring hollow hierarchical microstructures are successfully synthesized using a straightforward strategy combining sacrificial templating with chemical oxidative polymerization. This strategy offers a facile and effective approach to fine-tune the microstructure by adjusting the thickness of the polypyrrole (PPy) coating. This enables the continuous optimization of the dielectric properties and specific microstructures to maximize EMW absorption. Remarkably, the optimized 2D/1D hierarchical hollow NiO@PPy composite demonstrates an ultrathin thickness of 2.3 mm, a wide effective absorption band spanning 5.89 GHz, and a strong absorption intensity of -71.65 dB at a minimal loading of only 10 wt.%. The proposed mild and controllable preparation strategy not only provides insights for further tailoring the optimal dielectric properties of specific structures to enhance the absorption capacity, but also enriches the exploration of the underlying absorption mechanisms from the perspective of microstructure regulation. Materials science ; Composite material ; Dielectric ; Non-blocking I/O ; Absorption (acoustics) ; Electromagnetic radiation ; Optoelectronics ; Optics Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies ; Dielectric materials and actuators
Authors: Guillem Seychal | Bernard Miranda Campos | Gabriel Perli | Vincent Placet | Bruno Grignard | Fanny Bonnet | Christophe Detrembleur | Haritz Sardón | Nora Aranburu | Jean‐Marie Raquez
Source: Chemical Engineering Journal (article, 2025-03-31)
Field: Materials Science — Polymers and Plastics

Implementing recyclable bio- and CO <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si6.svg" display="inline" id="d1e1527"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> </mml:math> -sourced synergetic dynamic matrices via precise control of curing and properties for natural fiber composites within industrially relevant resin transfer molding The use of thermosets in natural fiber composites (NFC) presents major challenges related to their sustainability. Most alternatives struggle to meet industrial requirements relevant to conventional composite processing techniques. This study explores a synergetic copolymerization strategy that combines epoxy and CO 2 -derived polyhydroxyurethanes (PHU) to allow fine-tuned polymerization kinetics, including the suitability for the RTM process. We demonstrate a synergetic catalytic effect that accelerates curing compared to each neat component. The formulation maintains a low viscosity ( < 5 Pa.s) at room temperature while curing within 30 min at 80 ° C, unattainable conditions with pure PHUs. Formulations suitable for resin transfer molding (RTM) were developed and demonstrated an improvement in mechanical performances compared to the homopolymer parents. RTM-made composite achieved a fiber volume fraction of 58-60% and a porosity below 1%, making them ideal for high-quality NFCs. The influence of hybridization content was investigated, and the influence of impregnation quality was highlighted while the PHU well-supported the adhesion quality. Moreover, the catalyst-free dynamic matrix allows the reshaping after curing, and flax fibers can be easily separated without toxic reagents from the polymeric matrix under mild conditions ( 60 ° C for 2 h) and reused, retaining properties similar to those of virgin yarns. This strategy could broaden the application of PHU chemistry in sustainable NFC manufacturing while preserving both natural and fossil feedstocks. • A synergetic hybridization is reported for high-performance sustainable materials. • An auto-catalytic behavior between epoxy and PHU is reported to ease the curing. • High-performance biobased composites can be manufactured by RTM in a fast process. • The synergetic dynamic network allows the composite to be reshaped. • Natural fibers are fully recycled from the composite with no major degradation. Scalable Vector Graphics ; Computer science ; World Wide Web Polymer composites and self-healing ; biodegradable polymer synthesis and properties ; Natural Fiber Reinforced Composites
Authors: Weirao Ji | Yupeng Zhao | Yang Zhu | Lei Ma | Yong-Tao Wang
Source: Dyes and Pigments (article, 2025-04-26)
Field: Materials Science — Materials Chemistry

High contrast crystalline, dynamic, and excitation dependent room temperature phosphorescence by tuning acceptor structures Phosphorescence ; Excitation ; Acceptor ; Photochemistry ; Materials science ; Contrast (vision) ; Fluorescence ; Chemical physics ; Optoelectronics ; Chemistry ; Optics ; Physics ; Condensed matter physics Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Nanoplatforms for cancer theranostics
Authors: Eudomar Henríquez‐Guerra | Alberto M. Ruiz | Marta Galbiati | Álvaro Cortés‐Flores | D. J. Brown | Esteban Zamora‐Amo | Lisa Almonte | A. V. Shumilin | Juan Salvador‐Sánchez | Ana Pérez‐Rodríguez | I. Orue | A. Cantarero | Andrés Castellanos-Gómez | F. J. Mompeán | M. Garcı́a-Hernández | Efrén Navarro‐Moratalla | E. Díez | Mario Amado | José J. Baldoví | M. Reyes Calvo
Source: Advanced Materials (article, 2025-07-24)
Field: Materials Science — Materials Chemistry

Strain Engineering of Magnetoresistance and Magnetic Anisotropy in CrSBr Tailoring magnetoresistance and magnetic anisotropy in van der Waals magnetic materials is essential for advancing their integration into technological applications. In this regard, strain engineering has emerged as a powerful and versatile strategy to control magnetism at the 2D limit. Here, it is demonstrated that compressive biaxial strain significantly enhances the magnetoresistance and magnetic anisotropy of few-layer CrSBr flakes. Strain is efficiently transferred to the flakes from the thermal compression of a polymeric substrate upon cooling, as confirmed by temperature-dependent Raman spectroscopy. This strain induces a remarkable increase in the magnetoresistance ratio and in the saturation fields required to align the magnetization of CrSBr along each of its three crystalographic directions, reaching a twofold enhancement along the magnetic easy axis. This enhancement is accompanied by a subtle reduction of the Néel temperature by ≈10 K. The experimental results are fully supported by first-principles calculations, which link the observed effects to a strain-driven modification in interlayer exchange coupling and magnetic anisotropy energy. These findings establish strain engineering as a key tool for fine-tuning magnetotransport properties in 2D magnetic semiconductors, paving the way for implementation in spintronics and information storage devices. Materials science ; Magnetoresistance ; Strain (injury) ; Condensed matter physics ; Strain engineering ; Anisotropy ; Engineering physics ; Magnetic field ; Metallurgy ; Engineering ; Physics ; Optics ; Quantum mechanics 2D Materials and Applications ; MXene and MAX Phase Materials ; Graphene research and applications
Authors: N. Kanwal | Mansoor Khan | Saeed Khan | Ahmed Bari | Essam A. Ali | Wei Sun | Tanzila Rehman | Umar Nishan | Amir Badshah
Source: Analytical Biochemistry (article, 2025-03-29)
Field: Materials Science — Materials Chemistry

Chitosan-stabilized copper oxide nanoparticles: A novel colorimetric approach for ascorbic acid sensing Ascorbic acid ; Chitosan ; Copper ; Chemistry ; Nanoparticle ; Copper oxide ; Oxide ; Colorimetry ; Nuclear chemistry ; Combinatorial chemistry ; Nanotechnology ; Materials science ; Chromatography ; Organic chemistry ; Food science Advanced Nanomaterials in Catalysis ; Electrochemical sensors and biosensors ; Analytical Chemistry and Sensors
Authors: Shanglin Yang | Mengyu Liu | Shengnan Yue | Panpan Liu | Hanxuan Lin | Tongtong Gao | Xing Huang
Source: Advanced Functional Materials (article, 2025-03-17)
Field: Materials Science — Materials Chemistry

Unveiling Controlled Growth of Single‐Crystalline Layered Sb <sub>2</sub> Te <sub>3</sub> Via Van Der Waals Epitaxy for Visible‐Light Photodetectors and Optoelectronic Synapses Abstract 2D layered Sb 2 Te 3 has emerged as a promising material for thermoelectric and optoelectronic applications. However, fabricating single‐crystalline Sb 2 Te 3 flakes with the desired size, shape, and orientation remains challenging due to limited understanding of their growth mechanisms. In this study, how the substrate, growth time, carrying gas, and its flow rate influence the growth behavior of Sb 2 Te 3 flakes through a chemical vapor deposition (CVD) approach combined with van der Waals epitaxy (vdWE) is elucidated. By fine‐tuning these growth parameters, Sb 2 Te 3 flakes with controlled size, morphology, and crystal orientation on mica substrates are successfully achieved. Notably, a record‐high anisotropy ratio in Sb 2 Te 3 flakes exceeding 10,000 is obtained. Photodetectors fabricated from these flakes demonstrate excellent optoelectronic performance, achieving a responsivity of 1.34 A W −1 , a large external quantum efficiency (EQE) of 332%, and a high external specific detectivity (D * ) of 1.38 × 10¹⁰ Jones under a light power density of 10 mW cm − 2 . Moreover, the device exhibits modulated photocurrent under pulsed light, suggesting potential applications in optoelectronic synapses. This work provides detailed insights into the controlled growth of single‐crystalline Sb 2 Te 3 flakes, offering unprecedented opportunities for exploring their fundamental properties in the development of next‐generation thermoelectric and optoelectronic devices. Materials science ; Photodetector ; Epitaxy ; Optoelectronics ; van der Waals force ; Molecular beam epitaxy ; Optics ; Nanotechnology ; Layer (electronics) ; Physics 2D Materials and Applications ; Chalcogenide Semiconductor Thin Films ; Advanced Semiconductor Detectors and Materials
Authors: Jingxuan Yang | Hongru Zhou | Jincheng Luo | Min Wang
Source: ACS Catalysis (article, 2025-01-16)
Field: Materials Science — Materials Chemistry

Photothermal Conversion of Biopolyols and Sugars into Syngas over Pd–PdO/TiO<sub>2</sub> Photocatalysis is promising for reforming biopolyols and sugars into syngas (CO+H2), while the carbon is easily overoxidized to CO2 due to the hydroxyl radical (•OH) under aqueous conditions. Targeting this problem, a temperature-controlled photo-reforming strategy is proposed and the Pd–PdO/TiO2 is used as the catalyst. The photocatalytic reforming process effectively breaks the C–H and C–C bonds of biomass to produce radicals. The increased reaction temperature not only increases the photocatalytic reaction rate but also thermodynamically fine-tunes the radical reaction process, facilitating the decarbonylation of acyl radical intermediates and prohibiting its overoxidation to CO2. With the reaction temperature increased from 40 to 180 °C, the CO selectivity from glycerol reforming over Pd–PdO/TiO2 catalyst under aqueous conditions improves significantly from 1.6% to 66%. The unique Pd–PdO/TiO2 structure plays an important role in syngas production. On one hand, the decorated Pd species significantly promote light adsorption and the separation of photogenerated charge carriers. On the other hand, the PdO nanoparticles effectively facilitate the adsorption and decarbonylation process of acyl radical intermediates. A CO yield of over 60% for glycerol reforming under photothermal conditions can be obtained over Pd–PdO/TiO2, which is 3 times that of pristine TiO2 (20%). A wide range of biopolyols and sugars can also be converted into syngas through this photothermal system with a CO yield of 20–66%, along with 0.17–2.13 mmol·g–1·h–1 H2 evolution. Decarbonylation ; Chemistry ; Syngas ; Catalysis ; Aqueous solution ; Photocatalysis ; Radical ; Photochemistry ; Adsorption ; Inorganic chemistry ; Organic chemistry Catalytic Processes in Materials Science ; CO2 Reduction Techniques and Catalysts ; Catalysts for Methane Reforming
Authors: Fang Tang | Ze Huang | Jie Xue | Jiaxiang Yang | Aixiang Ding
Source: Journal of Molecular Structure (article, 2025-01-13)
Field: Materials Science — Materials Chemistry

D-A-D’-type fluorescence dyes with DSE and AIE properties and their sensing applications Chemistry ; Fluorescence ; Optics Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Organic Light-Emitting Diodes Research
Authors: Sofia Malik | Komal Jakhar | Devender Singh | Sonia Redhu | Vandana Aggarwal | Sumit Kumar | Rajender Singh Malik | Parvin Kumar
Source: Inorganic Chemistry Communications (article, 2025-08-05)
Field: Materials Science — Materials Chemistry

Ancillary ligand-dependent photophysical modulation in Tb(III) complexes with halogenated diketones Ligand (biochemistry) ; Chemistry ; Modulation (music) ; Photochemistry ; Physics ; Receptor Lanthanide and Transition Metal Complexes ; Magnetism in coordination complexes ; Radioactive element chemistry and processing