jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Upendar Reddy Gandra | Ravi P. Pandey | L. Palanikumar | Ahamad Irfan | Mazin Magzoub | Youssef Belmabkhout | Shadi W. Hasan | M. Infas H. Mohideen
Source: ACS Applied Materials & Interfaces (article, 2025-02-02)
Field: Chemistry — Spectroscopy

Cu-TCPP Metal–Organic Nanosheets Embedded Thin-Film Composite Membranes for Enhanced Cyanide Detection and Removal: A Multifunctional Approach to Water Treatment and Environmental Safety Cyanide is highly toxic, with widespread industrial use posing serious environmental risks. Effective materials for detecting and filtering cyanide from water are urgently needed. This study introduces a novel approach utilizing Cu-TCPP (TCPP = <i>o</i>-tetra(4-carboxyphenyl)porphine) metal-organic nanosheets (MONS) embedded in thin-film composite membranes, offering a multifunctional solution for cyanide detection and filtration. Ultrathin Cu-TCPP MONs were synthesized using a surfactant-assisted method featuring highly accessible metal centers that enhance cyanide interaction and detection. The membranes, developed by modifying cellulose acetate (CA) with Cu-TCPP MONs, demonstrated exceptional performance for cyanide removal. The 6% Cu-TCPP/CA membrane exhibited a 2.3-fold increase in pure water permeability and achieved a cyanide removal efficiency of 94.68%, significantly outperforming the pristine 0% Cu-TCPP/CA membrane (Pure Water Permeability (PWP) = 380.83 L m<sup>-2</sup> h<sup>-1</sup> bar<sup>-1</sup>; CN<sup>-</sup> removal = 5.01%). This is the first report describing the detection and removal of CN<sup>-</sup> in water using the membrane technique in literature. In addition to its removal efficiency, the Cu-TCPP MONs showed remarkable detection capabilities, with a calculated limit of detection of 1.76 × 10<sup>-7</sup> M, surpassing World Health Organization (WHO) and United States Environmental Protection Agency (EPA) safety standards for cyanide levels in water. Additionally, Cu-TCPP MONs, a bioimaging agent with excellent cell viability, were deployed to detect CN<sup>-</sup> in MiaPaCa-2 cells, detecting concentrations as low as 0.1 ppm. Cyanide ; Membrane ; Materials science ; Chemical engineering ; Metal ; Nuclear chemistry ; Chemistry ; Metallurgy Molecular Sensors and Ion Detection ; Metal-Organic Frameworks: Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: Syeda Hijab Zehra | Khadija Ramzan | Jonas Viškelis | Pranas Viškelis | Aistė Balčiūnaitienė
Source: Nanomaterials (review, 2025-02-07)
Field: Materials Science — Materials Chemistry

Advancements in Green Synthesis of Silver-Based Nanoparticles: Antimicrobial and Antifungal Properties in Various Films Nanotechnology is an evolving field that presents extensive opportunities in antimicrobial and eco-friendly food packaging applications. Silver nanoparticles (AgNPs) are particularly valuable in this context due to their outstanding physicochemical properties and demonstrated biological and antimicrobial efficacy, rendering them highly effective in food packaging applications. Historically, nanoparticle synthesis has largely relied on synthetic chemicals and physical methods; however, growing awareness of their potential toxic impacts on human health and the environment has led researchers to reassess these conventional approaches. In response, green synthesis using plants or their metabolites to produce nanoparticles (NPs) has emerged as a focal point in recent research. This approach provides significant advantages, notably in reducing toxicity associated with traditionally synthesized nanoparticles. Silver, recognized for its non-toxic, safe profile as an inorganic antibacterial and antifungal agent, has been employed for centuries and exhibits remarkable potential in various biological applications in its nanoparticle form. Environmentally friendly synthesis techniques are increasingly prioritized within chemical sciences to reduce the harmful byproducts of reactions. Green synthesis methods also offer economic benefits due to their lower costs and the abundant availability of natural raw materials. In the past five years, concerted efforts have been made to develop new, sustainable, and cost-effective methodologies for nanoparticle synthesis. This review explains the green synthesis of silver nanoparticles from different sources along with their quantification techniques and application in food packaging. Nanotechnology ; Silver nanoparticle ; Antifungal ; Environmentally friendly ; Biochemical engineering ; Nanoparticle ; Antimicrobial ; Context (archaeology) ; Green chemistry ; Applications of nanotechnology ; Materials science ; Biotechnology ; Chemistry ; Biology ; Engineering ; Organic chemistry ; Microbiology ; Ecology Nanoparticles: synthesis and applications
Authors: Yana Suchikova | Serhii Nazarovets | Marina Koņuhova | Anatoli I. Popov
Source: Ceramics (article, 2025-09-23)
Field: Materials Science — Materials Chemistry

Binary Oxide Ceramics (TiO2, ZnO, Al2O3, SiO2, CeO2, Fe2O3, and WO3) for Solar Cell Applications: A Comparative and Bibliometric Analysis Binary oxide ceramics have emerged as key materials in solar energy research due to their versatility, chemical stability, and tunable electronic properties. This study presents a comparative analysis of seven prominent oxides (TiO2, ZnO, Al2O3, SiO2, CeO2, Fe2O3, and WO3), focusing on their functional roles in silicon, perovskite, dye-sensitized, and thin-film solar cells. A bibliometric analysis covering over 50,000 publications highlights TiO2 and ZnO as the most widely studied materials, serving as electron transport layers, antireflective coatings, and buffer layers. Al2O3 and SiO2 demonstrate highly specialized applications in surface passivation and interface engineering, while CeO2 offers UV-blocking capability and Fe2O3 shows potential as an absorber material in photoelectrochemical systems. WO3 is noted for its multifunctionality and suitability for scalable, high-rate processing. Together, these findings suggest that binary oxide ceramics are poised to transition from supporting roles to essential components of stable, efficient, and environmentally safer next-generation solar cells. Ceramic ; Solar cell ; Oxide ; Solar energy ; Passivation ; Anti-reflective coating ; SAFER ; Interface (matter) Catalytic Processes in Materials Science
Authors: Yeqian Cheng | Jianqiang Zhao | Xiongfeng Ma | Huili Zheng | Liang He | Dexiang Zhang | Qipu Lin
Source: Advanced Materials (article, 2025-04-03)
Field: Chemistry — Inorganic Chemistry

Simultaneously Tailoring Hydrostability and Photoelectroactivity in Heterocluster Metal–Organic Frameworks for Efficient Photocatalytic Hydrogen Production The simultaneous enhancement of structural stability and photoelectroactivity in metal-organic frameworks (MOFs) remains a critical challenge for sustainable photocatalytic hydrogen (H<sub>2</sub>) production. Herein, an atomically-precise heterocluster assembly approach is presented to construct two isostructural 3D MOFs, CuSL-CuX (X = Cl, Br), featuring a cds net. CuSL-CuXs integrate hexanuclear copper-sulfur {Cu<sub>6</sub>S<sub>6</sub>} cluster and dinuclear copper-halogen {Cu<sub>2</sub>X<sub>2</sub>} cluster, which not only impart exceptional stability across a broad pH range (1-14) but also enable wide visible-light absorption, tailored redox potentials, and efficient charge-carrier dynamics. Notably, halogen substitution markedly boosts photocatalytic activity: CuSL-CuBr achieves an efficient H<sub>2</sub> evolution rate of 50.28 mmol g<sup>-1</sup> h<sup>-1</sup> without noble metals, doubling that of CuSL-CuCl (26.99 mmol g<sup>-1</sup> h<sup>-1</sup>) and surpassing most reported MOF-based photocatalysts. Both experimental and theoretical investigations indicate that bromine substitution optimizes electronic structure, refines orbital distribution, and accelerates charge separation, ultimately leading to promoted photocatalytic efficiency. This research provides insights into the structure-property interplay in heterocluster MOFs and establishes a paradigm for designing robust, high-performance photocatalysts through precise cluster engineering. Photocatalysis ; Isostructural ; Materials science ; Halogen ; Hydrogen production ; Chalcogenide ; Cluster (spacecraft) ; Charge carrier ; Metal-organic framework ; Nanotechnology ; Redox ; Copper ; Hydrogen ; Catalysis ; Physical chemistry ; Crystallography ; Crystal structure ; Chemistry ; Organic chemistry ; Optoelectronics Metal-Organic Frameworks: Synthesis and Applications ; Nanocluster Synthesis and Applications ; Advanced Photocatalysis Techniques
Authors: Zhiwen Wang | Chun Zhang
Source: Materials Today Bio (review, 2025-01-29)
Field: Materials Science — Biomaterials

Nanomaterials for targeted therapy of kidney diseases: Strategies and advances The treatment and management of kidney diseases pose a significant global burden. Due to the presence of blood circulation barriers and glomerular filtration barriers, drug therapy for kidney diseases faces challenges such as poor renal targeting, short half-life, and severe systemic side effects, severely hindering therapeutic progress. Therefore, the research and development of kidney-targeted therapeutic agents is of great clinical significance. In recent years, the application of nanotechnology in the field of nephrology has shown potential for revolutionizing the diagnosis and treatment of kidney diseases. Carefully designed nanomaterials can exhibit optimal biological characteristics, influencing various aspects such as circulation, retention, targeting, and excretion. Rationally designing and modifying nanomaterials based on the anatomical structure and pathophysiological environment of the kidney to achieve highly specific kidney-targeted nanomaterials or nanodrug delivery systems is both feasible and promising. Based on the targeted therapy of kidney diseases, this review discusses the advantages and limitations of current nanomedicine in the targeted therapy of kidney diseases, and summarizes the application and challenges of current renal active/passive targeting strategies, in order to further promote the development of kidney-targeted nanomedicine through a preliminary summary of previous studies and future prospects. Nanomaterials ; Nanotechnology ; Medicine ; Intensive care medicine ; Materials science Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Advanced Nanomaterials in Catalysis
Authors: Seonju Kim | Hyeonmin Jo | Jiyoung Yun | Seung‐Jun Lee | Jiung Cho | Kisuk Kang | Hee‐Dae Lim
Source: Nano Convergence (review, 2025-07-26)
Field: Materials Science — Materials Chemistry

Sustainable and eco-friendly syntheses of green MXenes for advanced battery applications MXenes, a versatile family of two-dimensional (2D) transition metal carbides and nitrides, have attracted significant attention for battery applications due to their exceptional properties, such as high electronic conductivity, tunable microstructure, robust mechanical and chemical stability, and compositional diversity. However, despite these advantages, conventional MXene synthesis methods-relying heavily on toxic acid etching-pose serious environmental hazards, undermining their suitability for sustainable energy applications. In this context, eco-friendly and non-toxic MXene synthesis routes have become increasingly critical for enabling the widespread adoption of MXene, driving extensive research into alternative, green synthetic approaches. These recent advances in environmentally benign synthesis are pivotal to unlocking the full potential of MXenes for diverse next-generation battery technologies. In this review, we provide a comprehensive overview of green and sustainable MXene synthesis strategies, highlighting the latest developments that go beyond traditional fluorine-based routes. Each synthetic process is comparatively analyzed with respect to its efficacy, limitations, and implications for practical application as key functional components in lithium-ion batteries (LIBs) and post-LIB systems. Finally, we offer a perspective on how the development of eco-friendly MXenes can contribute to overcoming the industrial challenges facing advanced battery technologies. MXenes ; Environmentally friendly ; Battery (electricity) ; Nanotechnology ; Process (computing) ; Computer science ; Context (archaeology) ; Biochemical engineering ; Systems engineering ; Materials science ; Engineering MXene and MAX Phase Materials ; Advanced Photocatalysis Techniques ; 2D Materials and Applications
Authors: Armando Navarro‐Huerta | Takumi Matsuo | Alexander S. Mikherdov | Jan Blahut | Erika Bartůňková | Pingyu Jiang | Martin Dračínský | Simon J. Teat | Mingoo Jin | Shotaro Hayashi | Braulio Rodríguez‐Molina
Source: Journal of the American Chemical Society (article, 2025-02-26)
Field: Chemistry — Physical and Theoretical Chemistry

Optical Waveguiding Charge-Transfer Cocrystals: Examining the Impact of Molecular Rotations on Their Photoluminescence Here, we present the first example of a binary optical waveguiding (OWG) cocrystal with large anisotropy featuring a fluorinated acceptor molecule (CPP-TFPN, <b>1</b>) with on-plane rotational dynamics, confirmed by solid-state NMR (<sup>19</sup>F <i>T</i><sub>1</sub>) and theoretical calculations. Spatially resolved microphotoluminescence and variable-temperature photoluminescence experiments allowed us to examine the OWG performance and photophysical properties of both single crystals and bulk microcrystalline samples. A comparison with an analogous cocrystal containing a regioisomeric acceptor (CPP-TFTN, <b>2</b>) revealed that the photoluminescence characteristics of <b>1</b> are associated with the rotational motions of the acceptor, offering insights into how the molecular motion changes this property. Chemistry ; Photoluminescence ; Charge (physics) ; Transfer (computing) ; Optoelectronics ; Chemical physics ; Nanotechnology ; Quantum mechanics Crystallography and molecular interactions ; Inorganic Fluorides and Related Compounds ; Advanced NMR Techniques and Applications
Authors: Alex-Barna Kacsó | Ildiko Peter
Source: Journal of Functional Biomaterials (review, 2025-04-18)
Field: Materials Science — Materials Chemistry

A Review of Past Research and Some Future Perspectives Regarding Titanium Alloys in Biomedical Applications This review paper provides a comprehensive synthesis of the current advancements in investigations of different titanium-based alloys, including pure titanium, commercially available Ti6Al4V, and modified alloys, such as Ti-Nb-Zr-Fe alloys, for biomedical applications. Several researchers have explored the effects of alloying elements and processing techniques on enhancing the mechanical, chemical, and biological properties of these materials. Ti-Nb-Zr-Fe alloys are of particular interest due to their potential to address critical requirements in medical applications, including reduced Young's modulus, superior corrosion resistance, biocompatibility, and mechanical strength. Despite substantial progress, the detailed mechanisms for optimizing these properties remain underexplored in the current literature. The main objective of the present review paper is to emphasize the importance of ongoing investigations aimed at overcoming challenges such as biocompatibility concerns, fatigue resistance, and wear under biological conditions. By critically analyzing existing data, this study highlights gaps in knowledge and identifies opportunities for advancing research on these alloys. Specifically, this review paper highlights the need for targeted studies to reduce the Young's modulus and improve other critical characteristics of Ti-Nb-Zr-Fe alloys to better meet the demands of orthopedic implants, dental prosthetics, and cardiovascular devices. Even if the current scientific literature is ample on this topic, we consider that through this review we can positively contribute to the collective effort in this field trying to fill some gaps, including some updates on the topic, time frames, advantages, and limitations, and pave the way for further advancements that could revolutionize biomedical implant technology. The review encompasses studies performed over the last 5 decades, specifically from 1975 to 2025, to ensure the inclusion of the most relevant and up-to-date research. This approach aims to highlight the significant progress made while situating the findings within the broader context of ongoing investigations. Materials science ; Biocompatibility ; Nanotechnology ; Titanium alloy ; Titanium ; Engineering ethics ; Corrosion ; Metallurgy ; Engineering ; Alloy Titanium Alloys Microstructure and Properties ; Orthopaedic implants and arthroplasty ; Bone Tissue Engineering Materials
Authors: Sartaaj Takrim Khan | Seyed Mohamad Moosavi
Source: Nature Communications (article, 2025-07-01)
Field: Chemistry — Inorganic Chemistry

Connecting metal-organic framework synthesis to applications using multimodal machine learning Every year, researchers create hundreds of thousands of new materials, each with unique structures and properties. For example, over 5000 new metal-organic frameworks (MOFs) were reported in the past year alone. While these materials are often synthesized for specific applications, they may have potential uses in entirely different domains. However, linking these new materials to their best applications remains a significant challenge. In this study, we demonstrate a multimodal approach that uses the information available as soon as a MOF is synthesized, specifically its powder X-ray diffraction pattern (PXRD) and the chemicals used in its synthesis, to predict its potential properties and uses. By self-supervised pretraining of this model on crystal structures accessible from MOF databases, our model achieves accurate predictions for various properties, across pore structure, chemistry-reliant, and quantum-chemical properties, even when small data is available. We further assess the robustness of this method in the presence of experimental measurement imperfections. Utilizing this approach, we create a synthesis-to-application map for MOFs, offering insights into optimal material classes for diverse applications. Finally, by augmenting this model with a recommendation system, we identify promising MOFs for applications that are different from the originally reported applications. We provide this tool as an open source code and a web app to accelerate the matching of new materials with their potential industrial applications. Computer science ; Robustness (evolution) ; Metal-organic framework ; Source code ; Nanotechnology ; Artificial intelligence ; Materials science ; Chemistry Metal-Organic Frameworks: Synthesis and Applications ; Machine Learning in Materials Science ; X-ray Diffraction in Crystallography
Authors: Yuyang Zeng | Tuo Zhou | Tong Wang | Man Zhang | Shuping Zhang | Hairui Yang
Source: Energies (article, 2025-01-21)
Field: Materials Science — Materials Chemistry

Long-Duration Energy Storage: A Critical Enabler for Renewable Integration and Decarbonization This paper focuses on the critical role of long-duration energy storage (LDES) technologies in facilitating renewable energy integration and achieving carbon neutrality. It presents a systematic review of four primary categories: mechanical energy storage, chemical energy storage, electrochemical energy storage, and thermal energy storage. The study begins by analyzing the technical advantages and geographical constraints of pumped hydro energy storage (PHES) and compressed air energy storage (CAES) in high-capacity applications. It then explores the potential of hydrogen and synthetic fuels for long-duration clean energy storage. The section on electrochemical energy storage highlights the high energy density and flexible scalability of lithium-ion batteries and redox flow batteries. Finally, the paper evaluates innovative advancements in large-scale thermal energy storage technologies, including sensible heat storage, latent heat storage, and thermochemical heat storage. By comparing the performance metrics, application scenarios, and development prospects of various energy storage technologies, this work provides theoretical support and practical insights for maximizing renewable energy utilization and driving the sustainable transformation of global energy systems. Duration (music) ; Renewable energy ; Enabling ; Energy storage ; Environmental science ; Environmental economics ; Business ; Power (physics) ; Engineering ; Electrical engineering ; Physics ; Medicine ; Economics ; Thermodynamics Hydrogen Storage and Materials ; Hybrid Renewable Energy Systems ; Advanced Battery Technologies Research
Authors: Danish Khan | Alastair J. A. Price | Bing Huang | Maximilian L. Ach | O. Anatole von Lilienfeld
Source: Science Advances (article, 2025-01-31)
Field: Materials Science — Materials Chemistry

Adapting hybrid density functionals with machine learning Exact exchange contributions significantly affect electronic states, influencing covalent bond formation and breaking. Hybrid density functional approximations, which average exact exchange admixtures empirically, have achieved success but fall short of high-level quantum chemistry accuracy due to delocalization errors. We propose adaptive hybrid functionals, generating optimal exact exchange admixture ratios on the fly using data-efficient quantum machine learning models with negligible overhead. The adaptive Perdew-Burke-Ernzerhof hybrid density functional (aPBE0) improves energetics, electron densities, and HOMO-LUMO gaps in QM9, QM7b, and GMTKN55 benchmark datasets. A model uncertainty-based constraint reduces the method smoothly to PBE0 in extrapolative regimes, ensuring general applicability with limited training. By tuning exact exchange fractions for different spin states, aPBE0 effectively addresses the spin gap problem in open-shell systems such as carbenes. We also present a revised QM9 (revQM9) dataset with more accurate quantum properties, including stronger covalent binding, larger bandgaps, more localized electron densities, and larger dipole moments. Hybrid functional ; Dipole ; Density functional theory ; Benchmark (surveying) ; Overhead (engineering) ; Statistical physics ; Constraint (computer-aided design) ; Quantum ; Delocalized electron ; Physics ; Computer science ; Materials science ; Molecular physics ; Quantum mechanics ; Mathematics Machine Learning in Materials Science ; Advanced Chemical Physics Studies ; Catalysis and Oxidation Reactions