jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ola M. El‐Borady | Azza S. El-Demerdash | Ahmed S. El Qiey | A. El-Shabasy | N. T. Abd El-Ghani
Source: Journal of Inorganic and Organometallic Polymers and Materials (article, 2026-02-20)
Field: Chemistry — Organic Chemistry

In Situ Synthesis of Anisotropic Silver Nanoparticles on 2D Chitosan Nanosheets: A Polymer-Metal Nanocomposite with Multi-target Genetic Efficacy Against Multidrug Resistant Bacteria Abstract The escalating global crisis of antimicrobial resistance (AMR) necessitates the rapid development of non-traditional, materials-based strategies. Here, we report a simple, one-pot, in situ synthesis of anisotropic silver nanoparticles (AgNPs) directly and uniformly integrated onto the surface of two-dimensional (2D) chitosan (CS) nanosheets. This method exploits the intrinsic reducing and stabilizing capabilities of chitosan, enhanced by a modified synthetic approach using sodium borohydride (NaBH 4 ) at low temperature, to create a robust, synergistic polymer-metal nanocomposite (CS-Ag). Comprehensive characterization (UV–Vis, FTIR, XRD, EDS, HRTEM, AFM) confirmed the successful immobilization and unique morphology, revealing anisotropic AgNPs with an average size of approximately 50 nm uniformly dispersed over the CS nanosheet. Moving significantly beyond standard inhibition assays, this work elucidates the multi-mechanistic and genetic-level action of the CS-Ag nanocomposite against a panel of multidrug resistant (MDR) clinical isolates. The material exhibited exceptional antibacterial potency, with maximum efficacy observed against Gram-negative bacteria, specifically Enterobacter ludwigii and Escherichia coli O157. To definitively uncover the underlying mechanism, we performed a novel gene expression analysis using a custom qPCR panel. This investigation provided molecular evidence of a multi-pronged attack that simultaneously targets cell structure and genetic defenses: a significant downregulation of key AMR genes (including the beta-lactamase gene ( blaACT ), the efflux pump gene ( acrB ), and the biofilm regulator ( csgD )). Simultaneously, the bacteria reacted by upregulating genes indicative of cellular stress and repair, such as the heat shock protein gene ( HSP60 ) and genes related to cell envelope damage ( uge and nhaA ). These compelling genetic findings were rigorously corroborated by molecular docking analysis, which mapped the high-affinity interaction of the nanocomposite with crucial bacterial membrane proteins (such as LolC). Collectively, these results establish the CS-Ag nanocomposite as a high-potential, next-generation hybrid material capable of circumventing and degrading AMR mechanisms by disarming MDR pathogens at the genetic level. This study offers a powerful, data-driven material-science approach for combating antibiotic resistance by simultaneously targeting both cell integrity and genetic defenses. Graphical Abstract Sodium borohydride ; Efflux ; Nanocomposite ; Chitosan ; Biofilm ; Multiple drug resistance ; Silver nanoparticle ; Bacteria ; Gene ; In situ Antimicrobial agents and applications ; Graphene and Nanomaterials Applications ; Nanoparticles: synthesis and applications
Authors: Evgenia Basdeki | Panagiotis Saltouros | Enrico Maurizzi | Andrea Quartieri | Chrysavgi Gardeli | Andrea Pulvirenti | Theofania Tsironi
Source: Food Packaging and Shelf Life (article, 2026-03-25)
Field: Materials Science — Biomaterials

Solvent–free fabrication of pH–sensitive freshness indicators using pomegranate juice in starch–PVA matrix for real–time fish spoilage detection Novel freshness indicators were developed using a starch–polyvinyl alcohol matrix incorporating pomegranate juice as a natural source of anthocyanins. To ensure a sustainable production process, the anthocyanins were not isolated from the juice, thus avoiding the use of organic solvents and energy–intensive extraction processes. The resulting smart indicators were characterised in terms of their optical properties, microstructure, infrared spectrum, water affinity, color response across a range of pH values, reactivity to volatile amines (ammonia, trimethylamine and dimethylamine), and color reversibility. The smart indicators were tested in fish fillet packaging systems under controlled temperature conditions (2.8 °C), where their performance was evaluated over time. An artificial intelligence tool was employed to classify the visual appearance of the films during storage. Microstructure analysis revealed satisfactory microstructural integrity and compatibility between the pomegranate juice and the biopolymer carrier. The incorporation of pomegranate juice enhanced the hydrophilicity of the membranes. The color sensitivity test demonstrated that the smart films responded effectively to increases in pH and volatile amine concentrations. A perceptible color shift from red to purple–green was observed from the early stages of spoilage (day 4–5), with intensity increasing as degradation advanced. The indicator response aligned with changes in headspace gas composition and was consistent with microbiological and chemical quality indicators of fish flesh, highlighting their potential as effective tools for real–time monitoring of fish freshness and spoilage. • Smart films developed using pomegranate juice, eliminating the need for anthocyanin solvent extraction • Effective incorporation of pomegranate juice into the PVA/starch biopolymer matrix • Color change of indicators strongly correlated with microbiological and physicochemical markers of fish spoilage • AI-assisted analysis validated the effectiveness of the smart films for real-time freshness monitoring Food spoilage ; Shelf life ; Modified atmosphere ; Fillet (mechanics) ; Matrix (chemical analysis) ; Biopolymer ; Trimethylamine ; Active packaging Nanocomposite Films for Food Packaging ; Postharvest Quality and Shelf Life Management ; Microbial Inactivation Methods
Authors: Fangyuan Yang | Chuanghui Chen | Yujie Qi | Guoying Wei | Xiaolu Li | Ye-Tang Pan
Source: Journal of Composites Science (article, 2026-01-12)
Field: Materials Science — Polymers and Plastics

Biomass Chitosan-Based Composites for Flame Retardancy and Fire Alarm: Advances and Perspectives The appeal of chitosan (CS) stems not only from its exceptional char-forming capacity and molecular tailorability as a flame retardant, but also from its intrinsic thermal responsiveness as a potential fire warning, making it a building block of advanced materials for fire management. Herein, this review provides an up-to-date exploration of advancements in CS and its derivative-based multi-functional composites, with a particular focus on the flame-resistant and fire-warning applications. Specifically, these summaries involve various manufactory approaches, the customed flame-retardant regulation (reflected in a higher Limiting Oxygen Index (LOI) value, a V-0 rating, and a decreased peak of heat release rate (pHRR)), a corresponding principle of flame retardancy, different fire-warning modulations (lower warning temperatures and shorter response times), an underlying fire-warning mechanism (electrical current change), and challenges and opportunities for further development (the assistance of artificial intelligence (AI), multi-functional integration). We mainly aim to present a comprehensive overview that can offer strong guidance for the construction of a new generation of advanced CS-based materials. Limiting ; Limiting oxygen index ; Focus (optics) ; Biomass (ecology) ; Fire safety ; Appeal ; Raw material Flame retardant materials and properties ; Fire dynamics and safety research ; Thermal and Kinetic Analysis
Authors: Kai Xia | Lin Yu | Jing Qin | Mengjiao Zhu | Mingyue Fan | Wenhao Qian
Source: Discover Nano (article, 2026-04-06)
Field: Chemistry — Inorganic Chemistry

Bibliometric and visualized analysis of metal‒organic frameworks in bone tissue engineering and bone diseases This study delineates the evolution of MOF-based bone research from material-centered exploration to clinically driven innovation, offering data-driven insights to guide future research and translational applications. Translational research ; Bone tissue ; Visualization ; Medical imaging ; Bone disease Metal-Organic Frameworks: Synthesis and Applications ; Nanocluster Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: Mina Lim | Sooyeon LIM | B. W. Lee | Jae‐Pyoung Ahn | Hong‐Kyu Kim | S.J. Park
Source: Research Square (preprint, 2026-04-13)
Field: Materials Science — Materials Chemistry

High-Throughput Quantification of XPS Spectra using Explainable 1D-Convolutional Neural Network Bottleneck ; Convolutional neural network ; Artificial neural network ; Set (abstract data type) ; Raman spectroscopy ; Characterization (materials science) ; Focus (optics) ; Gaussian ; Decoding methods Machine Learning in Materials Science ; Electron and X-Ray Spectroscopy Techniques ; Advanced Electron Microscopy Techniques and Applications
Authors: Weiqi Liu | Fenglei Cao | Yuan Qi | Li‐Cheng Xu
Source: arXiv (Cornell University) (preprint, 2026-01-07)
Field: Materials Science — Materials Chemistry

A Pre-trained Reaction Embedding Descriptor Capturing Bond Transformation Patterns With the rise of data-driven reaction prediction models, effective reaction descriptors are crucial for bridging the gap between real-world chemistry and digital representations. However, general-purpose, reaction-wise descriptors remain scarce. This study introduces RXNEmb, a novel reaction-level descriptor derived from RXNGraphormer, a model pre-trained to distinguish real reactions from fictitious ones with erroneous bond changes, thereby learning intrinsic bond formation and cleavage patterns. We demonstrate its utility by data-driven re-clustering of the USPTO-50k dataset, yielding a classification that more directly reflects bond-change similarities than rule-based categories. Combined with dimensionality reduction, RXNEmb enables visualization of reaction space diversity. Furthermore, attention weight analysis reveals the model's focus on chemically critical sites, providing mechanistic insight. RXNEmb serves as a powerful, interpretable tool for reaction fingerprinting and analysis, paving the way for more data-centric approaches in reaction analysis and discovery. Embedding ; Curse of dimensionality ; Visualization ; Focus (optics) ; Bridging (networking) ; Reaction coordinate ; Dimensionality reduction Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Asymmetric Hydrogenation and Catalysis
Authors: Nur Mohammad Mia | M. S. Rabbi | M. A. S. Siddiqui
Source: Concurrent Engineering (article, 2026-03-10)
Field: Materials Science — Biomaterials

Bio-inspired design and material consideration: A review on additive manufacturing solutions Bioinspired design, inspired by nature’s time-tested principles, has become a transformative approach in engineering and allows the development of innovative solutions by mimicking the efficient structures and mechanisms found in biological systems. Integrating with additive manufacturing (AM), bioinspired design facilitates the creation of complex, multi-material, and multifunctional structures that offer superior performance compared to traditional manufacturing methods. This review delves into the synergies between bioinspired design and AM, emphasizing how natural concepts, such as Bouligand-like structures, nacre-inspired composites, hierarchical architectures etc., are utilized to enhance material properties like toughness, fracture resistance, and energy dissipation which is crucial to the field of 3D printing. These advancements have led to breakthroughs in aerospace, biomedical engineering, and environmental technologies, including lightweight and impact-resistant components, tissue scaffolds for regenerative medicine, self-cleaning surfaces, and anti-fouling coatings. The paper also identifies key material considerations for successful bioinspired AM, focusing on polymers, composites, hybrid materials, and nanomaterials essential for realizing these innovations. Despite the immense potential, challenges remain in replicating the multifunctionality and scalability of natural systems, especially in terms of digital modeling, multi-material printing techniques, and cost-efficiency. Looking forward, the combination of bioinspired design with advancements in generative design, artificial intelligence, and novel materials will pave the way for future innovations, offering sustainable and high-performance solutions across diverse industrial applications. This review ultimately demonstrates how the fusion of nature-inspired design principles with AM technologies can unlock innovative solutions to modern engineering challenges. Scalability ; Field (mathematics) ; 3D printing ; Engineering design process ; Flexibility (engineering) ; Biomimetic materials ; Transformative learning ; Emerging technologies ; Biomimetics Calcium Carbonate Crystallization and Inhibition ; Additive Manufacturing and 3D Printing Technologies ; Advanced Materials and Mechanics
Authors: Yihuang Xiong | Yizhi Zhu | Sinéad M. Griffin | Geoffroy Hautier
Source: MRS Bulletin (article, 2026-04-13)
Field: Materials Science — Materials Chemistry

Finding the perfect imperfection: Accelerated, computationally driven discovery and design of quantum defects Optically addressable spin defects have emerged as the leading platforms for quantum sensing and communication in solid-state systems. While traditional efforts have concentrated on a focused set of well-studied defects, recent advances in high-throughput computational methods have shown promise for large-scale exploration of defects across diverse semiconductor hosts. By cataloging key properties of quantum defects in computational databases, high-throughput screening techniques can systematically suggest and design novel candidates. In this article, we highlight recent advances in data-driven quantum defect design aimed at addressing critical materials science challenges such as host materials selection, defect stability, and desirable electronic and optical properties. We emphasize the importance of electronic-structure-guided searches across various materials and illustrate how high-throughput computations contribute to our understanding of design principles for quantum defects. Additionally, we outline ongoing challenges and emerging opportunities in this rapidly developing field. Quantum ; Set (abstract data type) ; Key (lock) ; Quantum computer ; Computation ; Quantum information science ; Electronic materials ; Quantum technology Machine Learning in Materials Science ; Quantum Computing Algorithms and Architecture ; Electronic and Structural Properties of Oxides
Authors: Yuxin Liu | Jingbin Lu | Xinxu Yuan | Xinrui Liu | Fubo Tian | Xiaoyi Li | Yao Ma | Pugeng Hou | Mi Pang
Source: Physica B Condensed Matter (article, 2026-04-10)
Field: Materials Science — Materials Chemistry

Prediction of isotope influenced negative thermal expansion in 14C diamond via PIMD simulation Diamond ; Thermal expansion ; Isotope ; Thermal ; Kinetic isotope effect Thermal Expansion and Ionic Conductivity ; High-pressure geophysics and materials ; Boron and Carbon Nanomaterials Research
Authors: Tilak Ram | Manisha Singhal | Nidhi Chaudhary | Hament Panwar
Source: Oriental Journal Of Chemistry (article, 2026-02-28)
Field: Materials Science — Materials Chemistry

A short Study on Enhancing 3D Printing with Boron Nitride: A New Frontier in Materials Science In the current study, we have focused on the futuristic potential of the compound Boron Nitride (BN), apart from its high temperatures and resistance to chemical reactions. Presently, BN is actively engaged in the integration of 3D printing with other state-of-the-art technologies, for example, VR (virtual reality), robotics, and AI (artificial intelligence), which is gaining momentum daily. Herewith, efforts are made to elicit the role of BN in 3D printing in this short study. 3D printing ; Boron nitride ; Frontier ; 3d printed ; Material chemistry ; Boron ; Elsevier Biobase Boron and Carbon Nanomaterials Research ; MXene and MAX Phase Materials ; Boron Compounds in Chemistry
Authors: N Fuad | Azridjal Aziz | Rahmat Iman Mainil
Source: Proceeding SNTTM BKS-TM Indonesia (article, 2026-03-18)
Field: Materials Science — Materials Chemistry

A Review: Thermoelectric cooler application for portable beverage cooler Thermoelectric cooler (TEC) based on the Peltier effect offers a compact, silent, and environmentally friendly portable cooling solution. It can be used to preserve perishable food, medicine on remote area with limited or no electricity. This review explores experimental and theoretical findings from studies published between 2015 and 2025, with focus on portable beverage applications. Key material advances (average ZT ≈ 1–1.4) are traced, dominant thermal management bottlenecks are identified, and emerging optimization methods including artificial intelligence-assisted design are discussed. The system coefficients of performance (COPs) reported for one-stage beverage coolers have remained modest (0.2–0.9). However, recent prototypes have demonstrated the capability to achieve drink temperatures below 5 °C from 25 °C ambient within 30 minutes. These prototypes also show promising pathways for higher efficiency through hybrid photovoltaics, advanced heat sinks, and adaptive control. Thermoelectric cooling ; Thermoelectric effect ; Environmentally friendly ; Thermal management of electronic devices and systems ; Active cooling ; Key (lock) Advanced Thermoelectric Materials and Devices ; Nanomaterials and Printing Technologies ; Solar Thermal and Photovoltaic Systems
Authors: Shiqiang Song | Lizhu Tang | Longjian Huang | Yuanli Luo | Huiqing Yang | Chao Yang
Source: Metals Advances (article, 2026-02-07)
Field: Materials Science — Biomaterials

Advancements in design, surface modification, and spinal applications of biomedical metallic materials for bone repair Bone defect repair imposes stringent requirements on biomaterials, including mechanical compatibility, biocompatibility, osteoinduction/osteoconduction, and biodegradability. Biomedical metallic materials serve as core solutions for bone reconstruction due to their exceptional mechanical strength, particularly in high-load-bearing regions such as the spine. To address metallic surface bioinertness, various surface modification technologies are widely employed to significantly enhance osseointegration, antibacterial efficacy, and corrosion resistance through micro/nano-structuring and bioactive coatings. 3D printing enables customized fabrication of porous metallic implants, optimizing mechanical compatibility and imaging compatibility. In spinal applications, metallic materials are extensively utilized in internal fixation systems, interbody cages, artificial discs/vertebrae, correction systems, and tumor prostheses. Their design and modification directly impact fusion success rates, anti-subsidence capability, and long-term stability. Despite significant progress, challenges remain in degradation rate matching, long-term biosafety, multifunctional synergy, and stability in complex physiological environments. Future efforts should focus on smart materials, precision surface engineering, AI-assisted personalized design, and long-term clinical evaluation to advance metallic bone-repair materials toward superior performance. • Surface engineering overcomes metal bioinertness: micro/nano-structuring and bioactive coatings boost osseointegration and antibacterial properties. • 3D printing enables customized porous implants: Optimizes mechanical compatibility, imaging, and bone ingrowth for spinal applications. • Metals excel in diverse spinal applications: Key in fixation, fusion cages, discs/vertebrae, correction systems, and tumor prostheses. • Emerging biodegradable Mg/Zn alloys: Offer osteoinduction via ion release, eliminating secondary removal surgery needs. • Future focus on smart materials and AI design: Targets responsive coatings, precision engineering, and personalized implants for performance. Osseointegration ; Spinal fusion ; Surface modification ; Biocompatible material ; 3D printing ; Fabrication ; Porosity Magnesium Alloys: Properties and Applications ; Bone Tissue Engineering Materials ; Titanium Alloys Microstructure and Properties
Authors: Afrasim Moin | Sateesha Shivally Boregowda | Ranjitha S | Gokul Chowdappa | Rajamma Abburu Jayaramu | Shivanand K.
Source: Journal of drug targeting (article, 2026-04-01)
Field: Materials Science — Biomaterials

In-situ gel systems for periodontitis: advances in localized drug delivery and regenerative therapy Periodontitis is a chronic inflammatory condition initiated by pathogenic microbial biofilms and exacerbated by host immune responses, leading to progressive connective tissue, alveolar bone destruction and eventual tooth loss. Conventional therapies such as scaling and root planning, systemic antibiotics and surgical interventions provide only short-term relief due to rapid drug clearance, limited penetration into deep periodontal pockets and poor efficacy against structured biofilms. These limitations underscore the need for localised, sustained drug delivery systems capable of maintaining therapeutic concentrations at the target site. In-situ gel systems have emerged as innovative localised delivery platforms for periodontal therapy. In-situ gels are administered as liquids, they undergo sol-to-gel transitions in response to physiological stimuli such as temperature, pH, or ionic strength within the periodontal pocket, ensuring prolonged retention and improved therapeutic performance. Advances in polymer design, crosslinking chemistry and fabrication methods including click reactions and supramolecular assembly have enhanced gel stability, responsiveness and controlled release behaviour. Integration of nanotechnology, advanced biomaterials, three-dimensional bioprinting and AI-driven formulation strategies has further refined drug loading and delivery precision. Collectively, these innovations position smart in-situ gels as next generation systems for effective and sustained management of chronic periodontitis. Drug delivery ; Drug ; Periodontitis ; Regenerative medicine ; Delivery system ; Dental alveolus ; Immune system ; Controlled release Supramolecular Self-Assembly in Materials ; Oral microbiology and periodontitis research ; Hydrogels: synthesis, properties, applications
Authors: KuiXian Cai | Shuchang Wu | Fenglong Zhao | Yang Liu | Cui‐Ci Sun | Yaoming Wang | Dajiang Mei
Source: SSRN Electronic Journal (preprint, 2026-01-01)
Field: Materials Science — Materials Chemistry

Research on an Optical Crystal Detection Model Designed for Transmittance-Aware Analysis Reflection (computer programming) ; Transmittance ; Convolution (computer science) ; Crystal (programming language) ; Representation (politics) ; Transmission (telecommunications) Machine Learning in Materials Science ; Remote-Sensing Image Classification ; Optical Polarization and Ellipsometry