jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sarvat Zafar | Nadim Rana
Source: Recent Innovations in Chemical Engineering (Formerly Recent Patents on Chemical Engineering) (article, 2025-02-07)
Field: Materials Science — Materials Chemistry

The Convergence of Nanotechnology and Artificial Intelligence: Unlocking Future Innovations This review article explores the integration of artificial intelligence (AI) and nanotechnology, focusing on their combined potential to drive advancements in nanomaterial discovery, drug delivery systems, and nano-electronic component design. It also examines the transformative effects of AI-enhanced nanotechnology in medicine, diagnostics, bioengineering, and other scientific domains, emphasizing its future implications across various sectors. This article examines the synergy between AI and nanotechnology, focusing on recent innovations in nanomaterial discovery, AI-driven material design, and precision medicine. It reviews case studies and research highlighting AI's role in accelerating nanomaterial development and its applications in medicine, electronics, diagnostics, and robotics, using a multidisciplinary approach. AI-enhanced nanotechnology has enabled the development of novel nanomaterials with unprecedented properties tailored for specific applications, such as highly efficient drug delivery systems and next-generation nanoelectronic components. In medicine, AI-driven nanotechnology offers promising solutions for highly personalized treatments, improving therapeutic efficacy and reducing side effects. Additionally, AI is driving innovation in diagnostics and robotics, leading to more sensitive diagnostic tools and the development of nanoscale-precision robotic systems. The integration of AI and nanotechnology presents vast opportunities for scientific and technological advancements. As AI algorithms continue to evolve, their impact on nanotechnology will lead to breakthroughs in diverse fields, such as medicine, electronics, diagnostics, and robotics. This interdisciplinary synergy will open new frontiers in research, driving transformative changes in bioengineering, neuroscience, and beyond. Convergence (economics) ; Nanotechnology ; Engineering ; Materials science ; Economics Machine Learning in Materials Science ; Ferroelectric and Negative Capacitance Devices ; Cell Image Analysis Techniques
Authors: Donghyo Kim | Seth M. Woodbury | Woody Ahern | Doug Tischer | Alex Kang | Emily Joyce | Asim K. Bera | Nikita Hanikel | Saman Salike | Rohith Krishna | Jason Yim | Samuel J. Pellock | Anna Lauko | Indrek Kalvet | Donald Hilvert | David Baker
Source: Nature (article, 2025-12-03)
Field: Chemistry — Organic Chemistry

Computational design of metallohydrolases De novo enzyme design seeks to build proteins containing ideal active sites with catalytic residues surrounding and stabilizing the transition state(s) of the target chemical reaction<sup>1-7</sup>. The generative artificial intelligence method RFdiffusion<sup>8,9</sup> solves this problem, but requires specifying both the sequence position and backbone coordinates for each catalytic residue, limiting sampling. Here we introduce RFdiffusion2, which eliminates these requirements, and use it to design zinc metallohydrolases starting from quantum chemistry-derived active site geometries. From an initial set of 96 designs tested experimentally, the most active has a catalytic efficiency (k<sub>cat</sub>/K<sub>M</sub>) of 16,000 M<sup>-1</sup> s<sup>-1</sup>, orders of magnitude higher than previously designed metallohydrolases<sup>6,7,10,11</sup>. A second round of 96 designs yielded 3 additional highly active enzymes, with k<sub>cat</sub>/K<sub>M</sub> values of up to 53,000 M<sup>-1</sup> s<sup>-1</sup> and a catalytic rate constant (k<sub>cat</sub>) of up to 1.5 s<sup>-1</sup>. The design models of the four most active designs differ from known structures and from each other, and the crystal structure of the most active design is very close to the design model, demonstrating the accuracy of the design method. The most active enzymes are predicted by PLACER<sup>12</sup> and Chai-1 (ref. <sup>13</sup>) to have preorganized active sites that effectively position the substrate for nucleophilic attack by a water molecule activated by the bound metal. The ability to generate highly active enzymes directly from the computer, without experimental optimization, should enable a new generation of potent designer catalysts<sup>14,15</sup>. Active site ; Protein design ; Rational design ; Position (finance) ; Limiting ; Substrate (aquarium) ; Catalysis ; Protein engineering ; Optically active Cyclopropane Reaction Mechanisms ; Metalloenzymes and iron-sulfur proteins ; Enzyme Catalysis and Immobilization
Authors: Junjie Pan | Danqing Zhu | Yiyi Zhang | Xiaorong Liu | Manyan Qiu | Yujun Jiang | Wei Zhang | Xianlong Zhang
Source: Trends in Food Science & Technology (article, 2025-08-28)
Field: Materials Science — Materials Chemistry

Recent advances on porous organic framework material-based SERS sensing for the analysis of hazards in food Porosity ; Nanotechnology ; Environmental science ; Materials science ; Computer science ; Composite material Advanced Nanomaterials in Catalysis ; Advanced Chemical Sensor Technologies ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Hao Hu | Shuo Wang | Yiming Zhang | Xincai Wang | Boran Lin | Shaoxi Zhang | Wei Zhang | Pengfei Lian
Source: Small (review, 2025-07-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

MXene‐Based Electromagnetic Interference Shielding Materials: A Leap From Fundamental Research to Intelligent Customization The development of new electromagnetic interference (EMI) shielding materials with excellent overall performance has become a top priority, yet currently available EMI shielding materials are limited in terms of customization and application flexibility. A successful example is MXene-based EMI shielding materials, which exhibit outstanding electrical conductivity, tunable surface chemistry, and excellent solution processing, offering opportunities for intelligent customization in the field of EMI shielding. This review summarizes key developments from 2016 to 2024, highlighting MXene-based composites achieving EMI shielding effectiveness (SE) over 80 dB, ultralow densities below 0.1 g cm<sup>-3</sup>, and SSE/t values exceeding 30 000 dB·cm<sup>2</sup> g<sup>-1</sup>. Herein, the latest advances in MXene-based EMI shielding materials, including fundamental experiments and intelligent customization, are outlined. Furthermore, recent progress in AI-assisted material design platforms, GHz-THz broadband shielding for 6G applications, and multifunctional integrated systems are highlighted. These efforts aim to provide efficient, lightweight, and flexible EMI shielding for next-generation electronic devices. Finally, based on the current research landscape, this article looks into the future development directions and application prospects of MXene-based EMI shielding materials, providing strategic insights for integration in advanced electronic systems. EMI ; Electromagnetic shielding ; Electromagnetic interference ; Personalization ; Flexibility (engineering) ; Materials science ; Electrical conductor ; Computer science ; Telecommunications ; Composite material Electromagnetic wave absorption materials ; MXene and MAX Phase Materials ; Advanced Antenna and Metasurface Technologies
Authors: Lujie Wang | Dingfeng Xu | Jinping Zhou
Source: Carbohydrate Polymers (article, 2025-04-09)
Field: Materials Science — Biomaterials

Janus nanocellulose composite films with superior electromagnetic interference shielding and dual-thermal management Electromagnetic shielding ; Nanocellulose ; Composite number ; Materials science ; Janus ; Electromagnetic interference ; Composite material ; Thermal management of electronic devices and systems ; Thermal ; Dual (grammatical number) ; Nanotechnology ; Mechanical engineering ; Physics ; Electronic engineering ; Chemical engineering ; Engineering ; Cellulose Advanced Cellulose Research Studies ; Electromagnetic wave absorption materials ; Electrospun Nanofibers in Biomedical Applications
Authors: Nima Mobahi | Mohammad Amin Razavi | Mohammad Ekrami | Zahra Emam‐Djomeh | Seyed Hadi Razavi
Source: Trends in Food Science & Technology (article, 2025-09-25)
Field: Materials Science — Biomaterials

AI-integrated bio-nanocomposite food packaging: Sustainable, functional, and intelligent solutions Active packaging ; Food packaging ; Supply chain ; Sustainability ; Food safety ; Food industry ; Product (mathematics) ; Life-cycle assessment ; Quality (philosophy) Nanocomposite Films for Food Packaging ; Advanced Sensor and Energy Harvesting Materials
Authors: Ning Wang | Hongjun Xiang | Ling Meng | Chunmei Tang | Zhun Dong | Yunsong Yang | Lei Du | Siyu Ye
Source: Renewable Energy System and Equipment (article, 2025-01-09)
Field: Materials Science — Materials Chemistry

Accelerating the green hydrogen revolution: The synergy of PEMWE and AI The urgent need to address rising CO 2 levels and climate change has driven a global shift towards low-carbon and zero-carbon energy sources. Green hydrogen energy produced through water electrolysis has become as a crucial technology in this transition. Proton exchange membrane water electrolyzers (PEMWEs) emerging as a frontrunner in green hydrogen production technologies, have attracted significant attention due to their efficiency and compatibility with renewable energy sources. In this perspective, the components and challenges of PEMWEs are discussed, demonstrating the need for innovative research to overcome the existing limitations in key materials, such as electrocatalysts, membranes, membrane electrode assemblies (MEAs), stacks, and systems. Moreover, the synergistic potential of Artificial Intelligence (AI) and PEMWE research in terms of discovery and optimization of key materials, design and optimization of MEA, cell, and stack-level management are highlighted. While emphasizing AI's transformative potential in advancing PEMWE technology, we also pointed out the challenges in integrating AI with PEMWE research. This perspective underscores the pivotal role of AI-PEMWE synergy in advancing green hydrogen production and global carbon neutrality efforts. Hydrogen ; Chemistry Advancements in Solid Oxide Fuel Cells ; Machine Learning in Materials Science ; Hybrid Renewable Energy Systems
Authors: Yanfeng Fu | Hui Ye | Ke Yuan | Qinxin Wang | Longhui Ge | Sheng Cui
Source: Chemical Engineering Journal (article, 2025-07-01)
Field: Chemistry — Spectroscopy

Advance and perspective of carbon-based aerogels and their composites Perspective (graphical) ; Composite material ; Materials science ; Carbon fibers ; Composite number ; Computer science ; Artificial intelligence Aerogels and thermal insulation ; Supercapacitor Materials and Fabrication ; Catalytic Processes in Materials Science
Authors: Abdul Wahab | Muhammad Suhail | Tatiana Eggers | Khurram Shehzad | Ozioma Udochukwu Akakuru | Zahoor Ahmad | Zhichao Sun | M. Zubair Iqbal | Xiangdong Kong
Source: Acta Biomaterialia (review, 2025-01-08)
Field: Materials Science — Materials Chemistry

Innovative perspectives on metal free contrast agents for MRI: Enhancing imaging efficacy, and AI-driven future diagnostics Materials science ; Magnetic resonance imaging ; Contrast (vision) ; Biomedical engineering ; Medical physics ; Medical imaging ; Nanotechnology ; Medicine ; Radiology ; Computer science ; Artificial intelligence Lanthanide and Transition Metal Complexes ; Nanoparticle-Based Drug Delivery ; Advanced MRI Techniques and Applications
Authors: Preeti Rathi | Sumanta Chowdhury | Prem Felix Siril
Source: Small (review, 2025-08-23)
Field: Materials Science — Materials Chemistry

A Decade‐Long Journey in Design Strategies and Structure–Property Relationships of Covalent Organic Framework Nanocarriers for Anticancer Drug Delivery Over the past decade, covalent organic frameworks (COFs) have emerged as promising chemotherapeutic drug-delivery nanocarriers (DDNs) owing to their precise pore channels combined with tunable framework chemistry. Unlike non-porous analogues, this synergy has led to remarkable drug-loading capacities (up to 70-90 wt%), stimuli-responsive drug-release profiles, and exceptionally high biocompatibility (up to 800 µg mL<sup>-1</sup>). To date, efforts have largely been made to optimize COF porosity, linkage chemistry, and surface functionality. Yet critical parameters regulating in vivo chemotherapeutic performance of COF-DDNs, namely, immune response, sub-100 nm particle size control, long-term colloidal stability and blood circulation half-life, along with precise clearance pathways, remain underexplored. Building on these, this review article identifies links between the structural features of COFs and chemotherapeutic drug-delivery metrics, including drug-loading efficiency, release kinetics, biocompatibility, cytotoxicity, targeting specificity, cellular uptake, internalization mechanisms, biodegradability, and nanocarrier clearance pathways. Through quantitative analyses of these interdependent design parameters and therapeutic delivery standards, a data-driven roadmap is provided to accelerate the translation of COF-DDNs into clinical chemotherapy. Thus, this article charts a clear path toward next-generation COF-based chemotherapeutic DDNs, setting the stage to transform global cancer solutions. Nanocarriers ; Drug delivery ; Nanotechnology ; Anticancer drug ; Drug ; Covalent bond ; Materials science ; Chemistry ; Pharmacology ; Medicine ; Organic chemistry Covalent Organic Framework Applications ; Nanoplatforms for cancer theranostics ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Moataz G. Fayed | Delvin Aman | Saad G. Mohamed
Source: Journal of Cluster Science (article, 2025-04-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Synergetic Electrochemical Behavior of NiO and Activated Carbon Composites for Advanced Supercapacitors Abstract Nickel oxide (NiO) nanoparticles were prepared using the co-precipitation method, and then activated carbon (AC) powder was blended with NiO with percentages of 25, 50, and 75%. X-ray diffraction patterns confirmed the formation of both NiO and NiO/AC nanocomposite structures. The NiO and NiO/AC nanocomposite powders were also fully characterized by Brunauer–Emmett–Teller (BET), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM), which evidenced that the nanoparticles were uniformly distributed with the AC. The NiO and NiO/AC nanocomposite powders were investigated as supercapacitor electrode materials in a 6 M KOH aqueous solution. NiO nanoparticles electrode delivered a specific capacitance of 235 F g − 1 at a current density of 1 A g − 1 . In comparison, it was found that the AC50 (NiO/AC 50/50%) nanocomposite possessed the best electrochemical performance. It achieved specific capacitances of 325 F g − 1 and 215 F g − 1 at current densities of 1 and 5 A g − 1 , respectively. For practical application, the AC50 nanocomposite coin cell was assembled in 1 M TEABF 4 /PC organic electrolyte with good electrochemical performance. It delivered a specific capacitance of 72 F g − 1 at 1 mA g − 1 . It demonstrates remarkable electrochemical reversibility with 99.3% coulombic efficiency and 89.9% capacitance retention after 4000 cycles at the current density of 5 mA g − 1 . It also reveals a high specific energy of 62.5 Wh kg − 1 and a specific power of 638 W kg − 1 at a current density of 0.5 A g − 1 . Still, it exhibits a specific energy of 8.7 Wh kg − 1 and a specific power of 6944 W kg − 1 at a current density of 5 A g − 1 , estimating this material’s potential for use in supercapacitors. Supercapacitor ; Nanochemistry ; Non-blocking I/O ; Materials science ; Activated carbon ; Electrochemistry ; Composite material ; Catalysis ; Nanotechnology ; Electrode ; Chemistry ; Adsorption Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Electrocatalysts for Energy Conversion
Authors: Zhenguo Gao | Yuanyuan Gao | Xinlong Liu | C. S. Fang | Jun Wei | Yaopeng Wu | Shenzhen Deng | Chong Min Koo | Bingang Xu
Source: Nature Communications (article, 2025-11-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Moist-electromagnetic coupling enabled by ionic-electronic polymer diodes for wireless energy modulation Wireless modules provide an essential platform for power-harvesting and telecommunications enabled by Internet of Things systems. However, substantial interferences in multiple energy interactions and signal transmission may arise due to fluctuations in environmental factors. Here, we report a moist-electromagnetic coupling effect enabled by ionic-electronic polymer diodes for synergistic moist energy harvesting and electromagnetic protection. The thermodynamic and kinetic mechanisms of charge carrier transport in the polymer diodes are effectively manipulated by engineering the molecular interactions within the polyanions, leveraging hydrogen bonding, metal ion coordination, and metal-organic framework modifications, alongside the controlled porous architecture of the polypyrrole polycations. The ion gradient distribution and ionic double layer induced by moist energy endow the films with rectenna effect, leading to optimized impedance matching and enhanced polarization relaxation capabilities, thereby enabling electromagnetic interference shielding. The proposed moist-electric-electromagnetic coupling mechanism demonstrates its operational feasibility through stable power output (480.19 μW·cm<sup>-2</sup>) and good electromagnetic capability. Our findings provide insight into the environmental adaptability of electromagnetic energy modulation, ensuring the energy and information security of the state-of-the-art self-powered smart wireless electronics. Rectenna ; Energy harvesting ; Diode ; Wireless ; Coupling (piping) ; Microwave ; Ionic bonding ; Capacitance ; Impedance matching ; Dielectric Electromagnetic wave absorption materials ; MXene and MAX Phase Materials ; Advanced Sensor and Energy Harvesting Materials
Authors: Pankaj K. Bhujbal | Abhijit T. Supekar | Prathamesh Kadam | Naveen Vashishth | Almas Mujawar | Utkarsh Singh | Bishakha Ray | Sharad A. Mahadik | Suwarna Datar | Bhaskar Majumdar | Shashikant P. Patole | Devnath Dhirhe | Habib M. Pathan
Source: Advanced Composites and Hybrid Materials (article, 2025-02-12)
Field: Materials Science — Materials Chemistry

Enhancing charge transfer in hybrid solar cells: the role of pulse laser-assisted hydrothermally synthesized Au@N-S-doped fluorescent carbon quantum dots as Forster Resonance Energy Transfer antennas The strategic selection and design of antenna materials can significantly improve the light-harvesting efficiency of acceptor dye in Forster Resonance Energy Transfer (FRET)-based hybrid solar cells. This study uses innovative pulse laser-assisted hydrothermally synthesized Au-decorated nitrogen and sulphur-doped fluorescent carbon quantum dots (Au@NSCDs) as FRET relay antennas. They have unique properties, such as large surface areas for biomolecule attachment, broad spectral absorption, efficient charge carrier extraction, and rapid charge transport. We investigate hybrid solar cell integration with N3 dyes as energy acceptors and Au@NSCDs as donors. The study reveals the existence of FRET and the interaction between Au@NSCDs and the N3 dye. The FRET efficiency is 22.17%, while the Radiative Energy Transfer (RET) efficiency is 20%. Co-sensitization of Au@NSCDs with N3 dye in DSSCs leads to a 1.29% power conversion efficiency (PCE), 0.45 V open circuit voltage, a 1.77 mA/cm2 short-circuit current density, and a 30% improvement compared to TiO2/BaTiO3/N3-based DSSCs. Au@NSCDs also mitigate charge recombination, increasing open-circuit voltage to 670 mV. The TiO2/BaTiO3/N3-Au@NSCD configuration had an effective lifetime (17.57 ms), excellent charge carrier retention, and the highest charge collection efficiency (0.99). Au@NSCD antenna material can reduce charge recombination, indicating potential for future hybrid solar cell technology advancements. Förster resonance energy transfer ; Fluorescence ; Materials science ; Doping ; Optoelectronics ; Energy transfer ; Laser ; Quantum dot ; Charge (physics) ; Resonance (particle physics) ; Carbon quantum dots ; Resonant inductive coupling ; Chemistry ; Optics ; Atomic physics ; Molecular physics ; Physics Carbon and Quantum Dots Applications ; Quantum Dots Synthesis And Properties ; Luminescence and Fluorescent Materials
Authors: Pier‐Luc Tremblay | Mengying Xu | Muhammad Babur Joya | Yujie Wang | Chun He | Ziqiu Li | Lian Li | Kai Xu | Yujie Feng | Tian Zhang
Source: Nature Communications (article, 2025-08-30)
Field: Materials Science — Biomaterials

A biopiezocatalyst harnessing mechanical energy to enhance bioplastic production from CO2 and organic carbon The sustainable bioproduction of chemicals from CO<sub>2</sub> remains far from reaching its full potential. The productivity of autotrophic bioprocesses could benefit from harnessing ubiquitous mechanical energy sources, which are inaccessible for energizing bioproduction systems to this day. In this work, we develop a hybrid system where the efficient piezocatalyst zinc oxide (ZnO) harnesses mechanical vibration to stimulate the growth of the chemolithoautotrophic bacterium Cupriavidus necator and its production of the bioplastic polyhydroxybutyrate (PHB) from CO<sub>2</sub>. Both ultrasonication and intense wave-like motion at least triple autotrophic PHB production with ZnO forming a cohesive aggregate with C. necator and transferring charges to its respiratory metabolism. The same ZnO-C.necator system doubles heterotrophic PHB synthesis from fructose, highlighting its extensive potential for multiple biosynthesis applications. The hybrid approach reported here provides a blueprint route for powering bioproduction from CO<sub>2</sub> or other substrates with widespread mechanical energy such as industrial vibrations and natural waves. Bioplastic ; Production (economics) ; Carbon fibers ; Biochemical engineering ; Nanotechnology ; Materials science ; Environmental science ; Engineering ; Waste management biodegradable polymer synthesis and properties ; Advanced Sensor and Energy Harvesting Materials ; Supercapacitor Materials and Fabrication