jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Lei Chen | Pan Li | Ke Li | Songying Zhao | Miaomiao Chen | Wenbo Pan | Yu Liu | Zeyu Li
Source: Processes (review, 2025-05-31)
Field: Chemistry — Inorganic Chemistry

Zeolite Imidazole Frame-67 (ZIF-67) and Its Derivatives for Pollutant Removal in Water: A Review Water pollution, driven by industrial wastewater, agricultural runoff, and domestic sewage, introduces organic pollutants (e.g., dyes and antibiotics) and heavy metal ions (e.g., Pb2⁺ and Cr(VI)), threatening ecosystems and human health. Although traditional water treatment technologies have now matured, they still have some deficiencies in terms of specific pollutants. Metal–organic frameworks (MOFs), particularly zeolite imidazole frame-67 (ZIF-67)—a cobalt-based MOF with high surface area, tunable pores, and robust chemical stability—show excellent adsorption capacity for pollutants and have emerged as promising candidates for water treatment due to their efficacy in adsorption, catalysis, and photocatalysis. This review examines ZIF-67’s synthesis, functionalization strategies, and applications in removing organic pollutants and heavy metals. It explores its mechanisms, composite designs, and recyclability, while highlighting challenges and future directions for developing efficient, sustainable water treatment technologies. Imidazole ; Zeolite ; Pollutant ; Frame (networking) ; Environmental science ; Environmental chemistry ; Materials science ; Chemistry ; Engineering ; Organic chemistry ; Catalysis ; Mechanical engineering Metal-Organic Frameworks: Synthesis and Applications ; Gas Sensing Nanomaterials and Sensors ; Molecular Sensors and Ion Detection
Authors: John Worth | Valeska P. Ting | Charl F. J. Faul
Source: International Journal of Hydrogen Energy (review, 2025-07-01)
Field: Materials Science — Materials Chemistry

Exploring conjugated microporous polymers for hydrogen storage: A review of current advances Hydrogen (H 2 ) is a promising fuel for decarbonization, yet its storage remains challenging. Its low density, low boiling point, and high volatility necessitate high-pressure containment, cryogenic temperatures, or expensive materials—raising safety and cost concerns. Conjugated microporous polymers (CMPs) are unique organic porous materials that combine π-conjugated frameworks with permanent nanopores, offering potential for H 2 storage. Recent advances in chemical reactions, building blocks, and synthetic techniques have produced diverse CMPs with distinct structures and properties. This review discusses various synthesis and characterization methods, providing insights and recommendations for researchers aiming to tailor these materials. It also consolidates and compares CMPs evaluated for H 2 storage in different studies, serving as a valuable reference for future research. Key advantages of conjugated microporous polymers (CMPs) for hydrogen storage applications. CMPs offer high specific surface area, large micropore volume, modifiable structures, and elevated enthalpy of adsorption. These features collectively enhance hydrogen uptake and storage efficiency. • An extensive overview of conjugated microporous polymers (CMPs) as physisorption-based materials for hydrogen storage. • Compiles CMP hydrogen storage data and correlates performance with material characteristics using statistical analysis. • Offers design guidelines and insights to support the development of CMPs for efficient hydrogen storage applications. • Identifies key areas for improving consistency and clarity in future CMP hydrogen storage data reporting. Conjugated microporous polymer ; Hydrogen storage ; Current (fluid) ; Polymer ; Microporous material ; Conjugated system ; Hydrogen ; Materials science ; Nanotechnology ; Polymer science ; Chemistry ; Organic chemistry ; Physics ; Thermodynamics ; Composite material Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport
Authors: Han‐Wei Chu | Girum Getachew Demissie | Chih‐Ching Huang | Anisha Anand
Source: Frontiers in Analytical Science (article, 2025-01-22)
Field: Materials Science — Materials Chemistry

Protein-templated metal nanoclusters for chemical sensing Metal nanoclusters (MNCs) possess unique optical properties, discrete energy levels, biocompatibility and photostability, making them pivotal photoluminescent probes in chemical sensing. While substantial work has addressed the synthesis, theoretical studies and applications of gold-, copper-, and silver-based MNCs, this review introduces fresh perspectives on how the nature and concentration of templates—particularly protein molecules—affect the optical properties, stability and sensing capabilities of MNCs. We delve into the merits of using protein templates for creating highly stable MNCs with tunable photoluminescence (PL), providing a detailed comparison with non-protein based systems. This review also unveils recent advancements in the photophysical characteristics and chemical sensing applications of protein-templated MNCs, setting it apart from previous reviews by focusing on cutting-edge innovations in template influence. Challenges and future prospects for protein-templated MNCs in chemical sensing are highlighted, marking critical pathways for upcoming research. This work not only integrates current knowledge but also identifies gaps and opportunities not covered extensively in earlier reviews, such as the nuanced effects of template variation on MNCs’ functional properties. Nanoclusters ; Metal ; Nanotechnology ; Materials science ; Metallurgy Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: Pauline Coquart | Amor Haddad | Dimitrios A. Koutsouras | Johanna Bolander
Source: Biosensors (review, 2025-04-16)
Field: Materials Science — Polymers and Plastics

Organic Bioelectronics in Microphysiological Systems: Bridging the Gap Between Biological Systems and Electronic Technologies The growing burden of degenerative, cardiovascular, neurodegenerative, and cancerous diseases necessitates innovative approaches to improve our pathophysiological understanding and ability to modulate biological processes. Organic bioelectronics has emerged as a powerful tool in this pursuit, offering a unique ability to interact with biology due to the mixed ionic-electronic conduction and tissue-mimetic mechanical properties of conducting polymers (CPs). These materials enable seamless integration with biological systems across different levels of complexity, from monolayers to complex 3D models, microfluidic chips, and even clinical applications. CPs can be processed into diverse formats, including thin films, hydrogels, 3D scaffolds, and electrospun fibers, allowing the fabrication of advanced bioelectronic devices such as multi-electrode arrays, transistors (EGOFETs, OECTs), ion pumps, and photoactuators. This review examines the integration of CP-based bioelectronics in vivo and in in vitro microphysiological systems, focusing on their ability to monitor key biological events, including electrical activity, metabolic changes, and biomarker concentrations, as well as their potential for electrical, mechanical, and chemical stimulation. We highlight the versatility and biocompatibility of CPs and their role in advancing personalized medicine and regenerative therapies and discuss future directions for organic bioelectronics to bridge the gap between biological systems and electronic technologies. Bioelectronics ; Nanotechnology ; Electronic materials ; Biointerface ; Electronics ; Materials science ; Biochemical engineering ; Biosensor ; Engineering ; Electrical engineering Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Neuroscience and Neural Engineering
Authors: Haifeng Huang | S.Y. Zhang | Yizhe Wang | Yipu Guo | Chao Zhang | Fulin Qu
Source: Materials (review, 2025-07-31)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Cement-Based Electrochemical Systems for Structural Energy Storage: Progress and Prospects Cement-based batteries (CBBs) are an emerging category of multifunctional materials that combine structural load-bearing capacity with integrated electrochemical energy storage, enabling the development of self-powered infrastructure. Although previous reviews have explored selected aspects of CBB technology, a comprehensive synthesis encompassing system architectures, material strategies, and performance metrics remains insufficient. In this review, CBB systems are categorized into two representative configurations: probe-type galvanic cells and layered monolithic structures. Their structural characteristics and electrochemical behaviors are critically compared. Strategies to enhance performance include improving ionic conductivity through alkaline pore solutions, facilitating electron transport using carbon-based conductive networks, and incorporating redox-active materials such as zinc-manganese dioxide and nickel-iron couples. Early CBB prototypes demonstrated limited energy densities due to high internal resistance and inefficient utilization of active components. Recent advancements in electrode architecture, including nickel-coated carbon fiber meshes and three-dimensional nickel foam scaffolds, have achieved stable rechargeability across multiple cycles with energy densities surpassing 11 Wh/m<sup>2</sup>. These findings demonstrate the practical potential of CBBs for both energy storage and additional functionalities, such as strain sensing enabled by conductive cement matrices. This review establishes a critical basis for future development of CBBs as multifunctional structural components in infrastructure applications. Electrochemical energy storage ; Galvanic cell ; Energy storage ; Materials science ; Nanotechnology ; Electrochemistry ; Supercapacitor ; Process engineering ; Electrode ; Metallurgy ; Chemistry ; Engineering Supercapacitor Materials and Fabrication ; Advanced battery technologies research ; Advancements in Battery Materials
Authors: Mohammad Abushuhel | G. Padmapriya | Shaker Al-Hasnaawei | Subhashree Ray | Kattela Chennakesavulu | Renu Sharma | Ashish Singh Chauhan | Hadi Noorizadeh | Mosstafa Kazemi
Source: RSC Advances (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Perovskite quantum dots in cancer diagnosis and therapy: from synthesis to biomedical applications Perovskite quantum dots (PQDs) have emerged as a new generation of semiconductor nanomaterials with outstanding potential in oncology. Their unique optoelectronic features-including high photoluminescence quantum yields, tunable emission, and efficient charge transport-position them as superior candidates compared to conventional quantum dots. This review presents an integrated overview of PQDs, starting from their synthesis methodologies and structural-optoelectronic characteristics to their biocompatibility and biomedical applications. Special attention is paid to surface modification strategies, such as silica encapsulation, polymer coatings, hybrid nanostructures, and biomimetic approaches, which enhance aqueous stability, mitigate toxicity, and enable targeted delivery. Furthermore, the applications of PQDs in cancer diagnostics and therapy are highlighted, covering fluorescence and multimodal imaging, biosensing of tumor biomarkers, and advanced therapeutic modalities including photodynamic, photothermal, and integrated theranostic platforms. This review is among the first to systematically link PQD synthesis and property engineering with practical oncological applications. By addressing current limitations while outlining biomedical opportunities, this work emphasizes the promise of PQDs as versatile tools for next-generation cancer diagnosis and therapy. Quantum dot ; Nanomaterials ; Biocompatibility ; Cancer therapy ; Perovskite (structure) ; Photoluminescence ; Biosensor ; Cancer Carbon and Quantum Dots Applications ; Perovskite Materials and Applications ; Quantum Dots Synthesis And Properties
Authors: Alagan Sekar | Palaniyapillai JothiMurugan | Geetha Shanmugam | Bouzid Gassoumi | Mysoon M. Al‐Ansari | P. Srinivasan | Sherlin Nivetha | Francisxavier Paularokiadoss | Sahbi Ayachi
Source: Luminescence (article, 2025-04-01)
Field: Materials Science — Materials Chemistry

Green Synthesis and Characterization of ZnO Nanoparticles Using <scp> <i>Crinum Asiaticum</i> </scp> Leaf Extracts for Biomedical Applications Zinc oxide nanoparticles are increasingly recognized for their applications in optics, electronics, food packaging, and biomedical research. This study investigates the green synthesis of ZnONPs using leaf extracts from Crinum asiaticum, a tropical plant. The synthesized nanoparticles were characterized using UV-Vis spectroscopy, X-ray diffraction, Fourier-transform infrared spectroscopy, scanning electron microscopy, atomic force microscopy, and particle size analysis. The ZnONPs exhibited a strong UV-Vis absorption peak at 399 nm and a hexagonal wurtzite structure. Increasing the volume of plant extract enhanced crystallinity, as evidenced by higher peak intensities, narrower full width at half maximum, and well-defined diffraction peaks. FTIR analysis revealed functional groups in the plant extract interacting with ZnONPs, with higher extract volumes introducing additional functional groups that improved nanoparticle stability, size, and structural order. This study highlights the potential of Crinum asiaticum leaf extract as an eco-friendly and sustainable approach for ZnONP synthesis, underscoring the importance of extract volume optimization for tailoring nanoparticle properties. Wurtzite crystal structure ; Fourier transform infrared spectroscopy ; Crystallinity ; Nanoparticle ; Materials science ; Spectroscopy ; Nuclear chemistry ; Nanotechnology ; Particle size ; Chemical engineering ; Chemistry ; Zinc ; Physics ; Composite material Nanoparticles: synthesis and applications
Authors: Akinsanya Damilare Baruwa | Oluwatoyin Joseph Gbadeyan | Kugen Permaul
Source: Discover Materials (article, 2025-05-26)
Field: Materials Science — Materials Chemistry

Revolutionizing biotechnology: the impact of nanocatalysts and nanomaterials—a comprehensive review Nanotechnology is an important advancement in materials science, primarily focused on the application of nanoparticles, especially in the nanoscaling of precious metals. This advancement has given researchers precise control over properties such as size, shape, composition, and morphology, leading to new breakthroughs in catalytic processes. While this concept is not new, the ongoing advancements in nanotechnology have made it a focal point in recent decades. Nanocatalysis is a powerful tool in modern science, offering better performance, longer lifespan, and easier recovery compared to traditional catalysts. Over the past 150 years, nanocatalysts have been called different names, such as colloids and clusters, but today, they are recognized for their unique properties that go beyond catalysis into many industries. Recent advancements in nanocatalyst synthesis have led to materials with special characteristics, such as a high surface area and increased reactivity due to more surface atoms being exposed. These properties make nanocatalysts excellent supports for attaching enzymes. When enzymes are immobilized on nanocatalysts (EnNPs), they become more stable and durable compared to free enzymes. The special features of nanocatalysts allow EnNPs to be used in various industries, improving enzyme efficiency in industrial processes. This article covers key methods for attaching enzymes to nanocatalysts and explores how their combination can enhance applications across different fields. Nanomaterial-based catalyst ; Nanomaterials ; Biotechnology ; Nanotechnology ; Biochemical engineering ; Engineering ; Engineering ethics ; Biology ; Materials science ; Nanoparticle Nanoparticles: synthesis and applications ; Advanced Nanomaterials in Catalysis ; Graphene and Nanomaterials Applications
Authors: Weina Zhao | Chang Shen | Anil Kumar Tummanapelli | Ming Wah Wong
Source: Journal of Computational Chemistry (article, 2025-01-25)
Field: Materials Science — Materials Chemistry

Computational Insights Into Corrosion Inhibition Mechanism: Dissociation of Imidazole on Iron Surface Corrosion inhibitors are widely used to mitigate safety risks and economic losses in engineering, yet post-adsorption processes remain underexplored. In this study, we employed density functional theory calculations with a periodic model to investigate the dissociation mechanisms of imidazole on the Fe(100) surface. Imidazole was found to adsorb optimally in a parallel orientation, with an adsorption energy of -0.88 eV. We explored two dissociation pathways: CH and NH bond cleavages and found CH dissociation having a lower activation barrier of 0.46 eV. Intriguingly, an alternative indirect route CH dissociation pathway involving a tilted intermediate state was found to be competitive. Both indirect and direct CH dissociation pathways are energetically more favorable than NH cleavage. Molecular dynamics simulations reveal that indirect CH dissociation occurs rapidly. This study proposes an alternative protective mechanism involving dissociated imidazole inhibitors, offering new insights for corrosion inhibitor design. Dissociation (chemistry) ; Imidazole ; Chemistry ; Density functional theory ; Adsorption ; Corrosion ; Molecular dynamics ; Potential energy surface ; Reaction mechanism ; Bond cleavage ; Computational chemistry ; Catalysis ; Stereochemistry ; Photochemistry ; Molecule ; Physical chemistry ; Organic chemistry Corrosion Behavior and Inhibition ; Hydrogen embrittlement and corrosion behaviors in metals ; Concrete Corrosion and Durability
Authors: Shipeng Gao | Xinhao Xu | Xueyun Zheng | Yang Zhang | Xinai Zhang
Source: Foods (review, 2025-09-17)
Field: Materials Science — Materials Chemistry

Bimetallic Gold--Platinum (AuPt) Nanozymes: Recent Advances in Synthesis and Applications for Food Safety Monitoring The growing global demand for rapid, sensitive, and cost-effective food safety monitoring has driven the development of nanozyme-based biosensors as alternatives to natural enzyme-based methods. Among various nanozymes, bimetallic gold-platinum (AuPt) nanozymes show superior catalytic performance compared to monometallic and other Au-based bimetallic hybrids. This is due to their synergistic colorimetric, catalytic, geometric, and ensemble properties. This review systematically evaluates AuPt nanozymes in food safety applications, focusing on their synthesis, structural design, and practical uses. Various structural types are highlighted, including plain, magnetic, porous nanomaterial-labeled, and flexible nanomaterial-loaded AuPt hybrids. Key synthesis methods such as seed-mediated growth and one-pot procedures with different reducing agents are summarized. Detection modes covered include colorimetric, electrochemical, and multimodal sensing, demonstrating efficient detection of important food contaminants. Key innovations include core-shell designs for enhanced catalytic activity, new synthesis strategies for improved structural control, and combined detection modes to increase reliability and reduce false positives. Challenges and future opportunities are discussed, such as standardizing synthesis protocols, scaling up production, and integration with advanced sensing platforms. This review aims to accelerate the translation of AuPt nanozyme technology into practical food safety monitoring solutions that improve food security and public health. Bimetallic strip ; Food safety ; Key (lock) ; Reliability (semiconductor) ; Food security ; Safety monitoring Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications ; Electrochemical sensors and biosensors
Authors: Mohamed M. Aboelnga | Mohamed Mahmoud Seliem | Elsayed Elbayoumy | Mohsen M. T. El‐Tahawy
Source: Nanoscale Advances (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

DFT investigation of dye adsorption on pristine and doped graphdiyne: toward efficient removal of disperse yellow 3 from wastewater The persistence of industrial dyes such as Disperse Yellow 3 (DY3) dye in wastewater remains an environmental concern due to their chemical stability and toxicity. Graphdiyne (GDY), a two-dimensional (2D) carbon-based material, offers a promising platform for adsorption owing to its porous structure and extended π-conjugation. However, its pristine-GDY form exhibits limited binding performance. To enhance its interaction with pollutants, silicon (Si) and germanium (Ge) doping were introduced. This study employs Density Functional Theory (DFT) to examine the adsorption behavior of DY3 dye on pristine, Si-doped, and Ge-doped GDY under both vacuum and aqueous conditions. Four optimized configurations which are parallel, side-parallel, carbonyl-linked, and carbon-linked were analyzed in both pristine and doped models. The results show minimal changes in adsorption energy and geometry in water, confirming the structural integrity of the systems under realistic conditions. Electronic structure analyses including Density of States (DOS), the Natural Bond Orbital (NBO), molecular orbital studies (HOMO-LUMO), infrared (IR) and Reduced Density Gradient-Non-Covalent Interaction (RDG-NCI) visualizations reveal enhanced charge transfer, reduced energy gaps, and distinguishable physisorption and chemisorption features upon doping. Among all models, Si-GDY in the carbonyl-linked configuration exhibits the highest binding energy (-6.00 eV), indicating its superior stability. Additionally, thermodynamic parameters were calculated, revealing improved adsorption performance in doped systems. Non-covalent interaction analysis further confirmed the role of electrostatic, electronic, and charge transfer interactions in stabilizing dye adsorption. These findings demonstrate that doped GDY, particularly Si-GDY, offers enhanced adsorption efficiency, making it a promising candidate for environmental remediation involving persistent dye pollutants. Adsorption ; Physisorption ; Density functional theory ; Chemisorption ; Doping ; Binding energy ; Charge density ; Silicon ; Aqueous solution Nanomaterials for catalytic reactions
Authors: Daniel Lévy | Siba Smarak Panigrahi | Sékou-Oumar Kaba | Qiang Zhu | Kin Long Kelvin Lee | Mikhail Galkin | Santiago Miret | Siamak Ravanbakhsh
Source: ArXiv.org (preprint, 2025-02-05)
Field: Materials Science — Materials Chemistry

SymmCD: Symmetry-Preserving Crystal Generation with Diffusion Models Generating novel crystalline materials has the potential to lead to advancements in fields such as electronics, energy storage, and catalysis. The defining characteristic of crystals is their symmetry, which plays a central role in determining their physical properties. However, existing crystal generation methods either fail to generate materials that display the symmetries of real-world crystals, or simply replicate the symmetry information from examples in a database. To address this limitation, we propose SymmCD, a novel diffusion-based generative model that explicitly incorporates crystallographic symmetry into the generative process. We decompose crystals into two components and learn their joint distribution through diffusion: 1) the asymmetric unit, the smallest subset of the crystal which can generate the whole crystal through symmetry transformations, and; 2) the symmetry transformations needed to be applied to each atom in the asymmetric unit. We also use a novel and interpretable representation for these transformations, enabling generalization across different crystallographic symmetry groups. We showcase the competitive performance of SymmCD on a subset of the Materials Project, obtaining diverse and valid crystals with realistic symmetries and predicted properties. Symmetry (geometry) ; Diffusion ; Crystal (programming language) ; Statistical physics ; Mathematics ; Computer science ; Physics ; Geometry ; Thermodynamics Crystallization and Solubility Studies