jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Matthew K. Horton | Patrick Huck | Ruoxi Yang | Jason M. Munro | Shyam Dwaraknath | Alex M. Ganose | Ryan Kingsbury | Mingjian Wen | Jianxin Shen | Tyler S. Mathis | Aaron D. Kaplan | Karlo Berket | Janosh Riebesell | Janine George | Andrew Rosen | Evan Walter Clark Spotte‐Smith | Matthew J. McDermott | Orion A. Cohen | Alexander Dunn | Matthew C. Kuner | Gian‐Marco Rignanese | Guido Petretto | David Waroquiers | Sinéad M. Griffin | Jeffrey B. Neaton | D. C. Chrzan | Mark Asta | Geoffroy Hautier | Shreyas Cholia | Gerbrand Ceder | Shyue Ping Ong | Anubhav Jain | Kristin A. Persson
Source: Nature Materials (review, 2025-07-03)
Field: Materials Science — Materials Chemistry

Accelerated data-driven materials science with the Materials Project Materials science ; Nanotechnology ; Engineering physics ; Computer science ; Engineering Machine Learning in Materials Science ; X-ray Diffraction in Crystallography ; Advanced Materials Characterization Techniques
Authors: Safiul Islam | Md Mir Shakib Ahmed | Mohammad Aminul Islam | Nayem Hossain | Mohammad Asaduzzaman Chowdhury
Source: Results in Surfaces and Interfaces (review, 2025-04-19)
Field: Materials Science — Biomaterials

Advances in nanoparticles in targeted drug delivery–A review Nanoparticles have transformed contemporary medicine by improving bioavailability, targeting, and drug release mechanisms. Traditional drug delivery methods typically exhibit minimal therapeutic efficacy due to rapid elimination, inadequate solubility, and systemic toxicity. The distinctive physicochemical characteristics of nanoparticles provide targeted drug distribution to specific areas, reducing harmful consequences. The several kinds of nanoparticles extensively researched for their potential applications in drug delivery encompass polymeric nanoparticles, liposomes, solid lipid nanoparticles (SLNs), dendrimers, and metallic nanoparticles. These carriers enhance therapeutic efficacy via passive and active targeted methodologies, encompassing ligand-based functionalisation and the enhanced permeability and retention (EPR) effect. Given that traditional chemotherapy frequently results in significant adverse effects and inadequate drug accumulation at tumor sites, a paramount application of nanoparticles is the targeted delivery of anticancer agents. Nanocarriers optimise therapeutic efficacy by controlled release, enhanced drug stability, and targeted delivery to tumors with reduced toxicity. Photosensitizer-encapsulated nanoparticles are innovative in photodynamic therapy due to enhanced drug retention and specificity within tumor tissues. Nanoparticles to deliver nucleic acids and proteins have been investigated to surmount biological barriers and enhance cellular uptake in gene therapy, RNA interference, and protein-based therapeutics. Notwithstanding these advancements, challenges remain: mass production, regulatory frameworks, potential cytotoxicity, and interactions with the immune system. The specific biological barriers, such as the blood-brain barrier and mucosal layers, significantly hinder the efficient administration of medications using nanoparticles. To overcome these restrictions, research is being conducted to create biodegradable, biocompatible, and stimulus-responsive nanoparticles. The future will provide tailored nanomedicine, artificial intelligence, and real-time imaging to enhance pharmaceutical compositions and treatment strategies. This review examines emerging frontiers, medical applications, and developmental trends of nanoparticles in drug delivery. This work novelty contributes to the increasing importance of research on enhancing medication delivery systems for improved patient outcomes via nanotechnology, including the new drug delivery mechanism, precision and targeting, biocompatibility, and multifunctional nanoparticles for addressing current problems and potential. Drug delivery ; Nanotechnology ; Drug ; Targeted drug delivery ; Nanoparticle ; Computer science ; Medicine ; Pharmacology ; Materials science Nanoparticle-Based Drug Delivery ; Advanced Drug Delivery Systems ; Curcumin's Biomedical Applications
Authors: Lina Eltaib
Source: Polymers (review, 2025-03-21)
Field: Materials Science — Biomaterials

Polymeric Nanoparticles in Targeted Drug Delivery: Unveiling the Impact of Polymer Characterization and Fabrication Polymeric nanoparticles (PNPs) represent a groundbreaking advancement in targeted drug delivery, offering significant benefits over conventional systems. This includes their versatility, biocompatibility, and ability to encapsulate diverse therapeutic agents and provide controlled release, improving efficacy while minimizing side effects. The polymers used in PNP formulations are critical, as they influence the nanoparticles' physicochemical properties such as size, shape, surface charge, and drug-loading capacity. Recent developments in polymer chemistry and nanotechnology have led to the creation of smart PNPs that can respond to specific stimuli, enabling precise drug release in targeted environments. This review explores the mechanisms of drug delivery, innovations in polymeric formulations, and the fabrication and characterization techniques that enhance drug delivery systems. Additionally, it discusses challenges and future directions in the field, highlighting the potential for personalized medicine and the role of artificial intelligence in optimizing nanoparticle design. By examining the relationship between polymer characteristics and PNP performance, the review aims to promote innovative therapeutic strategies in modern medicine. Despite the promise of polymer-based drug delivery systems, challenges such as toxicity, stability, scalability, and regulatory compliance must be addressed. Future research should focus on rigorous testing, clear risk communication, and sustainable practices to support clinical translation and commercial viability. Overall, the integration of these elements is crucial for advancing PNPs in therapeutic applications. Drug delivery ; Nanotechnology ; Fabrication ; Nanoparticle ; Characterization (materials science) ; Materials science ; Drug ; Polymer ; Targeted drug delivery ; Medicine ; Pharmacology ; Composite material Nanoparticle-Based Drug Delivery ; Innovative Microfluidic and Catalytic Techniques Innovation ; Advanced Drug Delivery Systems
Authors: Nimeet Desai | Dhwani Rana | Mitali Patel | Neha Bajwa | Rajendra Prasad | Lalitkumar K. Vora
Source: Small (review, 2025-06-02)
Field: Materials Science — Biomaterials

Nanoparticle Therapeutics in Clinical Perspective: Classification, Marketed Products, and Regulatory Landscape Nanoparticle-based therapeutics, emerging from advances in nanotechnology, outperform traditional drug therapies by virtue of their distinct biological properties that enhance therapeutic efficacy, reduce toxicity, and enable precise targeting. Since the 1980s, the number of nanoparticle-based pharmaceutical products has expanded considerably, capturing a significant portion of the pharmaceutical market. These systems function as therapeutic agents or as vehicles for delivering active pharmaceutical or diagnostic compounds to targeted areas. However, despite their transformative potential, the development of comprehensive and harmonized regulatory frameworks for nanomedicines remains a critical challenge. This review provides a current overview of market-approved nanoparticle therapeutics, analyzing global regulatory strategies, including pre-clinical testing, safety assessments, manufacturing processes, and quality control standards. By discussing the existing shortcomings, this review highlights the importance of adaptive regulatory pathways in a global context. It aims to support researchers and stakeholders in navigating the regulatory landscape, facilitating the successful commercialization and clinical translation of nanoparticle-based therapeutics. Perspective (graphical) ; Nanoparticle ; Nanotechnology ; Business ; Materials science ; Computer science ; Artificial intelligence Nanoparticle-Based Drug Delivery ; Nanoparticles: synthesis and applications ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Ruofei Zhang | Xiyun Yan | Lizeng Gao | Kelong Fan
Source: Nature Communications (review, 2025-07-24)
Field: Materials Science — Materials Chemistry

Nanozymes expanding the boundaries of biocatalysis Biocatalysis is fundamental to biological processes and sustainable applications. Over time, the understanding of biocatalysis has evolved considerably. Initially, protein enzymes were recognized as the primary biocatalysts due to their high catalytic efficiency under mild conditions. The discovery of ribozymes expanded the scope of biocatalysts to include nucleic acids and the development of synthetic or semisynthetic artificial enzymes sought to overcome the limitations of natural enzymes. The emergence of nanozymes, nanomaterials with intrinsic biocatalytic activity, has further broadened this field. Nanozymes possess abundant active sites, multiple active phases, and nanostructures that maintain stability even under extreme conditions, along with unique physicochemical properties. These attributes enable nanozymes to perform efficient biocatalysis in diverse forms and under a wide range of conditions. The discovery of natural biogenic nanozymes, such as magnetosomes, ferritin iron cores, and amyloid protein assemblies, underscores their potential physiological functions and roles in disease pathogenesis. This review explores the distinct properties and catalytic mechanisms of nanozymes, elucidates their structure-activity relationships, and discusses their transformative impact on biocatalysis, highlighting their potential to reshape fundamental concepts and practical applications in the field. Biocatalysis ; Nanotechnology ; Biochemical engineering ; Chemistry ; Computational biology ; Computer science ; Catalysis ; Biology ; Materials science ; Biochemistry ; Engineering ; Reaction mechanism Advanced Nanomaterials in Catalysis ; Electrochemical sensors and biosensors ; Nanocluster Synthesis and Applications
Authors: Chenqi Guo | Ling Lin | Yihan Wang | Jing Jing | Qiyong Gong | Kui Luo
Source: Theranostics (review, 2025-04-13)
Field: Materials Science — Biomaterials

Nano drug delivery systems for advanced immune checkpoint blockade therapy Immune checkpoint inhibitors (ICIs) have been widely utilized in the first-line therapy of various types of cancer. However, immune-related adverse events (irAEs) and resistance to ICIs remain intractable challenges for immune checkpoint blockade (ICB) therapy during clinic treatment. Nano drug delivery systems (NDDSs) have shown promising potential to improve anticancer efficacy and reduce side effects of small molecular drugs. The combination of nanotechnology and ICB provides new opportunities to overcome the challenges of immunotherapy. Nanoplatforms have been employed for direct delivery of ICIs, and they are preferred vehicles for combination therapy of ICIs and other therapeutic agents. In this review, the strategies of using NDDSs for advancing ICB therapy in recent years are surveyed, emphasizing the employment of NDDSs for combination treatment by ICIs and other agents to manipulate antitumor immunity. Analysis of current strategies for applying NDDSs for ICB leads to future research directions and development trends. Drug delivery ; Immune checkpoint ; Blockade ; Drug ; Medicine ; Immune system ; Pharmacology ; Immunotherapy ; Nanotechnology ; Materials science ; Immunology ; Internal medicine ; Receptor Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Pharmacological Receptor Mechanisms and Effects
Authors: Stephan Maes | Nezha Badi | Johan M. Winne | Filip Du Prez
Source: Nature Reviews Chemistry (review, 2025-01-31)
Field: Materials Science — Polymers and Plastics

Taking dynamic covalent chemistry out of the lab and into reprocessable industrial thermosets Thermosetting polymer ; Dynamic covalent chemistry ; Covalent bond ; Chemistry ; Polymer science ; Organic chemistry ; Molecule Polymer composites and self-healing ; Carbon dioxide utilization in catalysis ; Chemistry and Chemical Engineering
Authors: Bowen Deng | Yunyeong Choi | Peichen Zhong | Janosh Riebesell | Shashwat Anand | Zhuohan Li | KyuJung Jun | Kristin A. Persson | Gerbrand Ceder
Source: npj Computational Materials (article, 2025-01-10)
Field: Materials Science — Materials Chemistry

Systematic softening in universal machine learning interatomic potentials Abstract Machine learning interatomic potentials (MLIPs) have introduced a new paradigm for atomic simulations. Recent advancements have led to universal MLIPs (uMLIPs) that are pre-trained on diverse datasets, providing opportunities for universal force fields and foundational machine learning models. However, their performance in extrapolating to out-of-distribution complex atomic environments remains unclear. In this study, we highlight a consistent potential energy surface (PES) softening effect in three uMLIPs: M3GNet, CHGNet, and MACE-MP-0, which is characterized by energy and force underprediction in atomic-modeling benchmarks including surfaces, defects, solid-solution energetics, ion migration barriers, phonon vibration modes, and general high-energy states. The PES softening behavior originates primarily from the systematically underpredicted PES curvature, which derives from the biased sampling of near-equilibrium atomic arrangements in uMLIP pre-training datasets. Our findings suggest that a considerable fraction of uMLIP errors are highly systematic, and can therefore be efficiently corrected. We argue for the importance of a comprehensive materials dataset with improved PES sampling for next-generation foundational MLIPs. Softening ; Interatomic potential ; Materials science ; Chemical physics ; Computer science ; Statistical physics ; Physics ; Chemistry ; Computational chemistry ; Composite material ; Molecular dynamics Machine Learning in Materials Science ; X-ray Diffraction in Crystallography ; Nuclear Materials and Properties
Authors: Yunpeng Long | Xiao‐Wei Zhu | Chuan Gao | Wenzhe Si | Junhua Li | Yue Peng
Source: Nature Communications (article, 2025-01-26)
Field: Materials Science — Materials Chemistry

Modulation of Co spin state at Co3O4 crystalline-amorphous interfaces for CO oxidation and N2O decomposition Modulation of electronic spin states in cobalt-based catalysts is an effective strategy for molecule activations. Crystalline-amorphous interfaces often exhibit unique catalytic properties due to disruptions of long-range order and alterations in electronic structure. However, the mechanisms of molecule activation and spin states at interfaces remain elusive. Herein, we present a Co<sub>3</sub>O<sub>4</sub> spinel-based catalyst featuring crystalline-amorphous interfaces. Characterization analyses confirm that tetrahedral Co<sup>2+</sup> is selectively etched from bulk spinel, forming amorphous CoO islands on the surface. The resultant symmetry breaking in the coordination field induces a reconstruction of the Co<sup>3+</sup> 3 d orbitals, leading to high-spin states. In CO oxidation, the interface serves as novel active sites with a lower energy barrier, facilitated by lattice oxygen activation. In N<sub>2</sub>O decomposition, the interface promotes reassociation of dissociated oxygen through quantum spin exchange interactions. This work provides a straightforward approach to modulating the spin state of interfaces and elucidates their role in molecule activations. Amorphous solid ; Decomposition ; Materials science ; Modulation (music) ; Oxidation state ; Chemical engineering ; Nanotechnology ; Chemistry ; Crystallography ; Physics ; Metal ; Metallurgy ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Copper-based nanomaterials and applications
Authors: Saburi Abimbola Atanda | Rafiu O. Shaibu | Foluso O. Agunbiade
Source: Discover Agriculture (article, 2025-02-18)
Field: Materials Science — Materials Chemistry

Nanoparticles in agriculture: balancing food security and environmental sustainability The urgent need to enhance food security, coupled with growing environmental concerns, poses significant challenges to sustainable agriculture. Conventional practices often result in soil degradation, reduced nutrient availability, and increased pesticide use, jeopardizing food production and ecosystem health. This review explores nanotechnology’s role in addressing these challenges, focusing on nanoparticles (NPs) as innovative solutions to boost agricultural productivity while maintaining ecological balance. Recent advancements have led to applications such as seed priming for improved germination rates by up to 30%, nanosensors for precise monitoring of environmental and crop health, and smart nutrient delivery systems that can increase nutrient uptake efficiency by 50%. Studies indicate that the use of nano-fertilizers can improve crop yields by up to 30% compared to conventional fertilizers. Additionally, nanobiosensors have been reported to increase pathogen detection sensitivity by up to 90%, facilitating early intervention and reducing crop losses. These innovations aim to enhance food security by improving crop yields and resilience while reducing agriculture's environmental footprint. The review discusses the classification and synthesis of agriculturally relevant NPs, their interactions with plants with emphasis on optimal dosages for growth and stress resistance, and the emergence of nanobiosensors as vital tools for data-driven farming decisions. It also addresses potential environmental concerns, such as impacts on soil microbiome diversity, bioaccumulation in the food chain, and long-term ecosystem stability. To balance agricultural innovation with ecological integrity, the review emphasizes comprehensive risk assessment protocols, the development of biodegradable NPs, and strategies to enhance beneficial soil microorganisms through targeted NP use. Ongoing research is crucial to harmonizing NP potential with stringent environmental standards, advocating for collaborative efforts among scientists, policymakers, and farmers to ensure responsible nanotechnology integration in agriculture. Sustainability ; Food security ; Agriculture ; Business ; Sustainable agriculture ; Natural resource economics ; Environmental science ; Environmental resource management ; Economics ; Ecology ; Biology Nanoparticles: synthesis and applications ; Polymer-Based Agricultural Enhancements ; Graphene and Nanomaterials Applications
Authors: Guoqiang Fang | Xiang Lin | Jinlei Wu | Wen Xu | Wuliji Hasi | Bin Dong
Source: Small (article, 2025-01-07)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Porous Nanoframe Based Plasmonic Structure With High‐Density Hotspots for the Quantitative Detection of Gaseous Benzaldehyde Owing to its high sensitivity, surface-enhanced Raman scattering (SERS) has immense potential for the identification of lung cancer from the variation in volatile biomarkers in the exhaled gas. However, two prevailing factors limit the application of SERS: 1) the adsorption of target molecules into SERS hotspots and 2) the detection specificity in multiple interference environments. To improve the density of the SERS hotspots, 3D Au@Ag-Au particles are prepared in a porous nanoframes (PPFs) based plasmonic structure, which facilitated a richer local electromagnetic field distribution among the Au nanocubic (NC) cores, Au-Ag porous nanoframes, and Au nanoparticles, thereby promoting the adsorption probability of gaseous aldehydes into the hotspots. L-cysteines (l-Cys)-modified 3D Au@Ag-Au PPFs are proposed as a benzaldehyde (BA) gas detection carrier to accurately detect biomarkers in complex exhaled gases and eliminate interference from other components. Unlike the conventional use of 4-aminothiophenol as a linker molecule, the novel L-Cys-modified SERS substrate is sensitive toward the aldehyde molecules and immune to other volatile organic compounds (ethanol, cyclohexane, toluene, etc.). Furthermore, a medical mask consisting of this SERS substrate is designed to realize intelligent detection of gaseous BA concentrations assisted by a machine learning algorithm. Materials science ; Adsorption ; Detection limit ; Benzaldehyde ; Toluene ; Plasmon ; Porosity ; Molecule ; Raman scattering ; Nanoparticle ; Cyclohexane ; Substrate (aquarium) ; Surface plasmon resonance ; Nanotechnology ; Chemical engineering ; Raman spectroscopy ; Chemistry ; Chromatography ; Organic chemistry ; Optoelectronics Gold and Silver Nanoparticles Synthesis and Applications ; Biosensors and Analytical Detection ; Gas Sensing Nanomaterials and Sensors
Authors: Xinyue Zhang | Mengfan Yan | Pei Chen | Jiaqi Li | Yuxuan Li | Hong Li | Xiaolu Liu | Zhongshan Chen | Hui Yang | Suhua Wang | Jianjun Wang | Zhenwu Tang | Qifei Huang | Jiehong Lei | Tasawar Hayat | Zhijian Liu | Liang Mao | Tao Duan | Xiangke Wang
Source: The Innovation (review, 2025-01-18)
Field: Chemistry — Inorganic Chemistry

Emerging MOFs, COFs, and their derivatives for energy and environmental applications Traditional fossil fuels significantly contribute to energy supply, economic development, and advancements in science and technology. However, prolonged and extensive use of fossil fuels has resulted in increasingly severe environmental pollution. Consequently, it is imperative to develop new, clean, and pollution-free energy sources with high energy density and versatility as substitutes for conventional fossil fuels, although this remains a considerable challenge. Simultaneously, addressing water pollution is a critical concern. The development, design, and optimization of functional nanomaterials are pivotal to advancing new energy solutions and pollutant remediation. Emerging porous framework materials such as metal-organic frameworks (MOFs) and covalent organic frameworks (COFs), recognized as exemplary crystalline porous materials, exhibit potential in energy and environmental applications due to their high specific surface area, adjustable pore sizes and structures, permanent porosity, and customizable functionalities. This work provides a comprehensive and systematic review of the applications of MOFs, COFs, and their derivatives in emerging energy technologies, including the oxygen reduction reaction, oxygen evolution reaction, hydrogen evolution reaction, lithium-ion batteries, and environmental pollution remediation such as the carbon dioxide reduction reaction and environmental pollution management. In addition, strategies for performance adjustment and the structure-effect relationships of MOFs, COFs, and their derivatives for these applications are explored. Interaction mechanisms are summarized based on experimental discussions, theoretical calculations, and advanced spectroscopy analyses. The challenges, future prospects, and opportunities for tailoring these materials for energy and environmental applications are presented. Computer science ; Biochemical engineering ; Nanotechnology ; Engineering ; Materials science Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques