jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yang Huang | Jiayu Cao | Xuehua Li | Qing Yang | Qianqian Xie | Xi Liu | Xiaoming Cai | Jingwen Chen | Huixiao Hong | Ruibin Li
Source: Nature Communications (article, 2025-03-20)
Field: Materials Science — Materials Chemistry

Multimodal feature fusion machine learning for predicting chronic injury induced by engineered nanomaterials Concerns regarding chronic injuries (e.g., fibrosis and carcinogenesis) induced by nanoparticles raised public health concerns and need to be rapidly assessed in hazard identification. Although in silico analysis is commonly used for risk assessment of chemicals, predicting chronic in vivo nanotoxicity remains challenging due to the intricate interactions at multiple interfaces like nano-biofluids and nano-subcellular organelles. Herein, we develop a multimodal feature fusion analysis framework to predict the fibrogenic potential of metal oxide nanoparticles (MeONPs) in female mice. Treating each nano-bio interface as an independent entity, eighty-seven features derived from MeONP-lung interactions are used to develop a machine learning-based predictive framework for lung fibrosis. We identify cell damage and cytokine (IL-1β and TGF-β1) production in macrophages and epithelial cells as key events closely associated with particle size, surface charge, and lysosome interactions. Experimental validations show that the developed in silico model has 85% accuracy. Our findings demonstrate the potential usefulness of this predictive model for risk assessment of nanomaterials and in assisting regulatory decision-making. While the model is developed based on 52 MeONPs, further validation using a larger nanoparticle library is necessary to confirm its broader applicability. Feature (linguistics) ; Computer science ; Artificial intelligence ; Fusion ; Machine learning Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; Scientific and Engineering Research Topics
Authors: Hong Hu | Yanjing He | Shengchun Sun | Jianxing Feng | Ning Shi | Zexiang Wang | Yan Liang | Yibin Ying | Yixian Wang
Source: Nature Communications (article, 2025-06-02)
Field: Materials Science — Materials Chemistry

Machine learning-powered activatable NIR-II fluorescent nanosensor for in vivo monitoring of plant stress responses Real-time monitoring of plant stress signaling molecules is crucial for early disease diagnosis and prevention. However, existing methods are often invasive and lack sensitivity, rendering them inadequate for continuous monitoring of subtle plant stress responses. In this study, we develop a non-destructive near-infrared-II (NIR-II) fluorescent nanosensor for real-time detection of stress-related H<sub>2</sub>O<sub>2</sub> signaling in living plants. This nanosensor effectively avoids interference from plant autofluorescence and specifically responds to trace amounts of endogenous H<sub>2</sub>O<sub>2</sub>, thereby providing a reliable means to real-time report stress information. We validate that it is a species-independent nanosensor by effectively monitoring the stress responses of different plant species. Additionally, with the aid of a machine learning model, we demonstrate that the nanosensor can accurately differentiate between four types of stress with an accuracy of more than 96.67%. Our study enhances the understanding of plant stress signaling mechanisms and offers reliable optical tools for precision agriculture. Nanosensor ; Fluorescence ; In vivo ; Stress (linguistics) ; Nanotechnology ; Chemistry ; Biophysics ; Materials science ; Biology ; Biotechnology ; Physics Carbon and Quantum Dots Applications ; Luminescence and Fluorescent Materials ; Insect and Pesticide Research
Authors: Nitish Govindarajan | Georg Kastlunger | Joseph A. Gauthier | Jun Cheng | Ivo A. W. Filot | Arthur Hagopian | Heine Anton Hansen | Jun Huang | Piotr M. Kowalski | Jinwen Liu | Juan M. Lombardi | Mikael Maraschin | Andrew A. Peterson | Hemanth Somarajan Pillai | Hèctor Prats | Conor Jason Price | René van Roij | Jan Rossmeisl | Ranga Rohit Seemakurthi | Seung‐Jae Shin | Audrey D. Smith | Jiaxin Zhu | Katharina Doblhoff-Dier
Source: ACS Energy Letters (review, 2025-08-08)
Field: Chemistry — Electrochemistry

The Intricacies of Computational Electrochemistry Computational electrochemistry is hardanybody who has ever tried will know. We argue that the reasons for its complexity lie not only in the multiscale nature of electrochemical processes but also in the rapid, ongoing method development in the field. This has resulted in a lack of clear guidelines and many open discussions in the community. These issues were also the topic of a recent Lorentz Center workshop, the key take-away messages of which are highlighted in this Perspective. In particular, we discuss why the choice between constant potential and constant charge simulations is less trivial than it may seem, why interpreting electrochemical reaction free energy diagrams can be challenging, why the Poisson-Nernst-Planck equation is not all there is, and why we desperately need more benchmarking in the field. Planck ; Field (mathematics) ; Constant (computer programming) ; Nernst equation ; Electrochemistry ; Computer science ; Nanotechnology ; Theoretical physics ; Physics ; Chemistry ; Mathematics ; Physical chemistry ; Materials science ; Quantum mechanics Electrochemical Analysis and Applications ; Electrocatalysts for Energy Conversion ; Machine Learning in Materials Science
Authors: Muhammad Zamir Hossain | S. M. Abu Nayem | M. Shah Alam | Md Nazrul Islam | Gimyeong Seong | Al‐Nakib Chowdhury
Source: Nanomaterials (review, 2025-04-15)
Field: Materials Science — Materials Chemistry

Hydrothermal ZnO Nanomaterials: Tailored Properties and Infinite Possibilities This review presents a comprehensive and precise summary of the hydrothermal synthesis and morphology control of zinc oxide (ZnO) nanomaterials, the advantages of hydrothermal synthesis, and the wide range of applications. ZnO nanomaterials have garnered significant attention in recent years for their diverse applications across various industries owing to their unique properties and versatility, with practical applications in healthcare, cosmetics, textiles, automotive, and other sectors. Specifically, the ability of ZnO-based nanomaterials to promote the production of reactive oxygen species, release of Zn<sup>2+</sup> ions, and induce cell apoptosis makes them well-suited for bio-medicinal applications such as cancer treatment and microorganism control. Hydrothermal technique offers precise control over the synthesis of ZnO, metal/non-metal-doped ZnO, and related composites, enabling the tailoring of properties for specific applications. The significant feature of the hydrothermal technique is the use of water as a solvent, which is cheap, available, and environmentally benign. In the last section, we discussed the potential future direction of ZnO-based research. Nanomaterials ; Hydrothermal circulation ; Nanotechnology ; Materials science ; Hydrothermal synthesis ; Chemical engineering ; Engineering ZnO doping and properties
Authors: Yihong Yan | Weiqiang Sun | Yuyang Wei | Kuankuan Liu | Jingjing Ma | Guang Hu
Source: Nanomaterials (review, 2025-02-19)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Review of Biomass-Derived Carbon Nanomaterials—From 0D to 3D—For Supercapacitor Applications The transition to sustainable energy storage solutions has driven significant interest in supercapacitors, which offer high power density, rapid charge-discharge capabilities, and exceptional cycle stability. Biomass-derived carbon nanomaterials have emerged as compelling candidates for supercapacitor electrodes due to their renewable origins, environmental compatibility, and cost-effectiveness. This study explores recent advancements in tailoring structural properties, for example in preparation methods and activation, which are essential for efficient charge storage and rapid ion transport. Attention is given to the dimensional configurations-spanning 0D to 3D structures-and their impact on electrochemical behaviors. This review outlines the challenges faced in scaling up and optimizing these materials for practical applications, alongside an outlook on future research directions. By bridging the gap between material design and application demands, this work contributes to advancing sustainable supercapacitor technologies for a greener energy future. Supercapacitor ; Biomass (ecology) ; Nanomaterials ; Nanotechnology ; Materials science ; Carbon fibers ; Chemistry ; Composite number ; Composite material ; Ecology ; Electrochemistry ; Electrode ; Biology Supercapacitor Materials and Fabrication ; Nanomaterials for catalytic reactions ; Advancements in Battery Materials
Authors: Qian Wang | Yong Hu | Yifan Gu
Source: Nano-Micro Letters (review, 2025-01-27)
Field: Chemistry — Inorganic Chemistry

Molecular Mechanism Behind the Capture of Fluorinated Gases by Metal–Organic Frameworks Fluorinated gases (F-gases) play a vital role in the chemical industry and in the fields of air conditioning, refrigeration, health care, and organic synthesis. However, the direct emission of waste gases containing F-gases into the atmosphere contributes to greenhouse effects and generates toxic substances. Developing porous materials for the energy-efficient capture, separation, and recovery of F-gases is highly desired. Recently, as a highly designable porous adsorbents, metal-organic frameworks (MOFs) exhibit excellent selective sorption performance toward F-gases, especially for the recognition and separation of different F-gases with highly similar properties, showing their great potential in F-gases control and recovery. In this review, we discuss the capture and separation of F-gases and their azeotropic, near-azeotropic, and isomeric mixtures in various application scenarios by MOFs, specifically classify and analyze molecular interaction between F-gases and MOFs, and interpret the mechanisms underlying their high performance regarding both adsorption capacity and selectivity, providing a repertoire for future materials design. Challenges faced in the transformation research roadmap of MOFs adsorbent separation technologies toward F-gases are also discussed, and areas for future research endeavors are highlighted. Metal-organic framework ; Adsorption ; Sorption ; Greenhouse gas ; Materials science ; Chemical engineering ; Nanotechnology ; Chemistry ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Inorganic Fluorides and Related Compounds ; Sulfur Compounds in Biology
Authors: Tingting Hu | Yu Yang | Tao Wang | Min Ge | Chaojie Yu | Jiajia Zha | Xiangrong Pan | Zhan Zhou | Lu‐Fang Ma | Ruizheng Liang | Chaoliang Tan
Source: Chemical Reviews (review, 2025-07-28)
Field: Materials Science — Materials Chemistry

Structural Engineering of Layered Nanomaterials for Biomedical Applications Layered nanomaterials have been recognized as promising nanomaterials for biomedical applications due to their tunable crystal phase, easy exfoliation, capability as the host to be intercalated with guest species, and layer-dependent electronic/optoelectronic properties. Recent advances in structural engineering strategies enable manipulating layered nanomaterials at the atomic level, activating and/or optimizing their properties, and overcoming existing limitations for unlocking unprecedented performance in biomedical applications. In this Review, we comprehensively summarize the latest advancements in structural engineering of layered nanomaterials, focusing on their applications in the biomedical field. First, layered nanomaterials explored in the biomedical field enabled by structural engineering are presented based on their composition and structures, followed by highlighting their unique advantages for structural engineering at the atomic level. Then, the structural engineering strategies of layered nanomaterials including crystal phase engineering, defect engineering, heteroatom doping, interlayer engineering, and crystalline-to-amorphous phase engineering are comprehensively discussed, alongside insights on the advanced characterization techniques. Moreover, the transformative potential of structural engineering to optimize the performance of layered nanomaterials for diverse biomedical applications is discussed in depth. Finally, this Review is concluded with perspectives on the key challenges and bottlenecks of structural engineering of layered nanomaterials in the biomedical field, providing potential solutions and outlining future directions. Chemistry ; Nanomaterials ; Nanotechnology MXene and MAX Phase Materials ; Graphene and Nanomaterials Applications ; Advanced Photocatalysis Techniques
Authors: Dicho Stratiev | Radoslava Nikolova | Anife Veli | Ivelina Shishkova | Vesislava Toteva | Georgi Georgiev
Source: Processes (review, 2025-01-07)
Field: Chemistry — Analytical Chemistry

Mitigation of Asphaltene Deposit Formation via Chemical Additives: A Review The deposition of asphaltenes in the petroleum industry has been found to be a significant factor affecting the profitability of petroleum production and refining. For this reason, many efforts have been made to clarify the mechanism of deposition formation and to find measures to reduce its harmful impact on the efficiency of oil production and refining. Recent reports on the mechanism of deposit formation by asphaltenes suggest that it is a phase transition phenomenon. Many studies have shown that this process can be slowed by using chemical inhibitors. Different classes of chemical substances (non-polymeric, organic compounds, polymers, ionic liquids and nanomaterials) have been found to be capable of inhibiting asphaltene precipitation. This paper presents a comprehensive review of asphaltene deposition research and makes an attempt to decipher the convoluted asphaltene deposition phenomena and relate the chemistry of asphaltene inhibitors to the nature of treated petroleum oils. The choice of appropriate additives to mitigate asphaltene deposition in commercial oil and gas facilities requires comprehensive knowledge of chemistry of oils, asphaltenes, and the chemical substances, along with the appropriate laboratory techniques that best mimic the commercial operation conditions. Asphaltene ; Refining (metallurgy) ; Petroleum ; Chemical engineering ; Deposition (geology) ; Chemistry ; Precipitation ; Petroleum industry ; Organic chemistry ; Nanotechnology ; Materials science ; Environmental science ; Geology ; Environmental engineering Petroleum Processing and Analysis ; Enhanced Oil Recovery Techniques ; Hydrocarbon exploration and reservoir analysis
Authors: Miriam Medina‐García | José Manuel Amigo | Miguel Ángel Martínez‐Domingo | Eva M. Valero | Ana M. Jiménez–Carvelo
Source: Microchemical Journal (review, 2025-05-17)
Field: Chemistry — Analytical Chemistry

Strategies for analysing hyperspectral imaging data for food quality and safety issues – A critical review of the last 5 years • Leveraging multivariate data analysis for monitoring and ensuring food quality and safety with hyperspectral imaging. • Hyperspectral imaging is employed to combat food fraud by detecting adulteration, contamination, and non-conformity. • Advancing qualitative and quantitative food analysis through the application of hyperspectral imaging. Hyperspectral imaging is now establishing itself as a transformative analytical technique in the food safety and quality domains, offering unique capabilities for non-destructive, real-time, and high-resolution analysis of food at different levels of its production. Hyperspectral imaging combines the strengths of computer vision and classical spectroscopy. It provides both spatial and spectral information, making it a powerful and green alternative to the conventional techniques employed in this field. This critical review explores the advances in hyperspectral imaging applications, highlighting its potential to revolutionize food quality and safety assessment, including adulteration, contamination and non-conformity detection. Recent breakthroughs in sensor technology, data processing algorithms, and machine learning integration are discussed, emphasizing the most popular data analysis strategies and their role in addressing the challenges of complex food matrices and dynamic production environments. This review underlines the data analysis approaches applied in each of the collected works, highlighting two trends: studying food samples as a whole or analyzing them as a set of pixel-spectra. Machine learning methods such as principal component analysis, partial least squares regression, partial least squares discriminant analysis, soft independent modelling of class analogy, and support vector machines have been widely applied for the analysis of food samples. These techniques are used for both qualitative and quantitative purposes, regardless of the sample’s origin (plant- or animal-based) or its complexity. Additionally, this review outlines the limitations of hyperspectral imaging, such as high costs, computational demands, and the need for standardized protocols, while identifying opportunities for future research and industrial implementation. Hyperspectral imaging ; Quality (philosophy) ; Food safety ; Computer science ; Business ; Data science ; Artificial intelligence ; Food science ; Chemistry ; Epistemology ; Philosophy Spectroscopy and Chemometric Analyses ; Identification and Quantification in Food ; Advanced Chemical Sensor Technologies
Authors: Lukas Conrads | Florian Bontke | Andreas Ulm | Paul Buske | Matthias Wuttig | Robert Schmitt | Carlo Holly | Thomas Taubner
Source: Nature Communications (article, 2025-04-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Infrared beam-shaping on demand via tailored geometric phase metasurfaces employing the plasmonic phase-change material In3SbTe2 Conventional optical elements are bulky and limited to specific functionalities, contradicting the increasing demand of miniaturization and multi-functionalities. Optical metasurfaces enable tailoring light-matter interaction at will, especially important for the infrared spectral range which lacks commercially available beam-shaping elements. While the fabrication of those metasurfaces usually requires cumbersome techniques, direct laser writing promises a simple and convenient alternative. Here, we exploit the non-volatile laser-induced insulator-to-metal transition of the plasmonic phase-change material In<sub>3</sub>SbTe<sub>2</sub> (IST) for optical programming of large-area metasurfaces for infrared beam-shaping. We tailor the geometric phase of metasurfaces with rotated crystalline IST rod antennas to achieve beam steering, lensing, and beams carrying orbital angular momenta. Finally, we investigate multi-functional and cascaded metasurfaces exploiting enlarged holography, and design a single metasurface creating two different holograms along the optical axis. Our approach facilitates fabrication of large-area metasurfaces within hours, enabling rapid-prototyping of customized infrared meta-optics for sensing, imaging and quantum information. Holography ; Plasmon ; Fabrication ; Miniaturization ; Optics ; Materials science ; Optoelectronics ; Photonics ; Laser ; Beam steering ; Infrared ; Phase (matter) ; Beam (structure) ; Nanotechnology ; Physics Metamaterials and Metasurfaces Applications ; Orbital Angular Momentum in Optics ; Plasmonic and Surface Plasmon Research
Authors: Joyce Hu | Pooria Mohammadi Arvejeh | S Bone | Erik C. Hett | Francesco M. Marincola | Kyung‐Ho Roh
Source: Journal of Translational Medicine (review, 2025-04-15)
Field: Materials Science — Biomaterials

Nanocarriers for cutting-edge cancer immunotherapies Cancer immunotherapy aims to harness the body's own immune system for effective and long-lasting elimination of malignant neoplastic tissues. Owing to the advance in understanding of cancer pathology and immunology, many novel strategies for enhancing immunological responses against various cancers have been successfully developed, and some have translated into excellent clinical outcomes. As one promising strategy for the next generation of immunotherapies, activating the multi-cellular network (MCN) within the tumor microenvironment (TME) to deploy multiple mechanisms of action (MOAs) has attracted significant attention. To achieve this effectively and safely, delivering multiple or pleiotropic therapeutic cargoes to the targeted sites of cancerous tissues, cells, and intracellular organelles is critical, for which numerous nanocarriers have been developed and leveraged. In this review, we first introduce therapeutic payloads categorized according to their predicted functions in cancer immunotherapy and their physicochemical structures and forms. Then, various nanocarriers, along with their unique characteristics, properties, advantages, and limitations, are introduced with notable recent applications in cancer immunotherapy. Following discussions on targeting strategies, a summary of each nanocarrier matching with suitable therapeutic cargoes is provided with comprehensive background information for designing cancer immunotherapy regimens. Nanocarriers ; Cancer ; Medicine ; Cancer immunotherapy ; Enhanced Data Rates for GSM Evolution ; Immunotherapy ; Cancer research ; Computer science ; Internal medicine ; Pharmacology ; Drug Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; RNA Interference and Gene Delivery
Authors: Lakshi Selvaratnam | Timothy M. Willson | Matthieu Schapira
Source: Journal of Medicinal Chemistry (review, 2025-02-11)
Field: Chemistry — Organic Chemistry

Structural Chemistry of Helicase Inhibition Helicases are essential motor enzymes that couple nucleoside-triphosphate hydrolysis with DNA or RNA strand unwinding. Helicases are integral to replication, transcription, splicing, and translation of the genome, play crucial roles in the proliferation of cancer cells and propagation of viral pathogens, and are implicated in neurodegenerative diseases. Despite their therapeutic potential, drug discovery efforts targeting helicases face significant challenges due to their dynamic enzymatic cycles, the transient nature of their conformational states, and the conservation of their active sites. Analysis of cocrystal structures of inhibitor-helicase complexes revealed four distinct mechanisms of inhibition: allosteric, ATP-competitive, RNA-competitive, and interfacial inhibitors. While these static X-ray structures reveal potential binding pockets that may support the development of selective drugs, the application of advanced techniques such as cryo-EM, single-molecule analysis, and computational modeling will be essential for understanding helicase dynamics and designing effective inhibitors. Chemistry ; Helicase ; Biophysics ; Biochemistry Carbohydrate Chemistry and Synthesis ; Glycosylation and Glycoproteins Research ; Enzyme Structure and Function