jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Na Li | Jinyong Zhang | Christof Wöll | Zhi‐Gang Gu | Jian Zhang
Source: Advanced Functional Materials (article, 2025-02-12)
Field: Chemistry — Inorganic Chemistry

Breathable Biomimetic Chiral Porous MOF Thin Films for Multiple Enantiomers Sensing Abstract Chiral sensing is essential in pharmaceuticals, food safety, and environmental monitoring, but effectively and accurately detecting various enantiomers continues to be a substantial challenge. Inspired by the dynamic conformational change of olfactory receptor proteins, natural L‐carnosine (Car) is used as a ligand to assemble the first highly crystalline and oriented chiral peptide‐based metal‐organic framework (MOF) thin films with liquid‐phase epitaxial layer‐by‐layer approach (named surfac‐coordinated MOF thin films, SURMOFs). By adjusting the solvent environment, these chiral and at the same time porous SURMOFs mimic the conformational flexibility of receptor proteins, exhibiting dynamic structural changes. This “breathing effect” enables ZnCar SURMOFs to selectively sense six fragrance enantiomers, including (+)/(−)‐carvone, (+)/(−)‐menthol, and (+)/(−)‐limonene. By incorporating these films into a quartz crystal microbalance (QCM) and analyzing the frequency shifts using convolutional neural networks (CNN), a highly sensitive gravimetric biomimetic chiral sensor capable of detecting multiple enantiomers has been developed. With a sensitivity range of 10 to 200 ppm, the sensor reached a recognition accuracy of 98.58% for these six enantiomers, showcasing outstanding selectivity and flexibility. Materials science ; Porosity ; Nanotechnology ; Enantiomer ; Chemical engineering ; Porous medium ; Composite material ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Gas Sensing Nanomaterials and Sensors ; Supramolecular Self-Assembly in Materials
Authors: Shengchong Hui | Lechun Deng | Limin Zhang | Hao Shen | Qiang Chen | Hongjing Wu
Source: Advanced Science (article, 2025-10-08)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Integrated AI and DFT: A Revolutionary Computational Breakthrough for Microwave‐Absorbing Materials Design Microwave-absorbing materials (MAM) are important for modern technologies, but the design of MAM remains hindered by insufficient experimental characterization of the microscopic mechanisms governing electromagnetic (EM) energy dissipation. While Density Functional Theory (DFT) provides theoretical evidence for probing electronic structures, its application faces significant challenges. These include discrepancies between theoretical models and realistic structures, inadequate treatment of alternating EM fields, and errors in strongly correlated systems. Recent advances in Artificial Intelligence (AI) offer transformative opportunities to address these challenges. AI algorithms can predict and model electronic responses under physical equation constraints, accelerate the screening of computational parameters, and enhance the reliability of DFT-based interpretations. This perspective critically illustrates the current state of DFT applications and the limitations of existing approaches in MAM, while analyzing contemporary strategies to mitigate DFT limitations. In addition, it is proposed prospectively that future research should integrate physics-informed neural networks, adaptive algorithms, and DFT to address the current dilemma. This not only emphasizes the transformative potential of AI but also unlocks scalable design principles for the next generation of MAM. Transformative learning ; Reliability (semiconductor) ; Scalability ; Density functional theory ; Perspective (graphical) ; Computational model ; Characterization (materials science) Multiferroics and related materials ; Ferroelectric and Piezoelectric Materials ; Metamaterials and Metasurfaces Applications
Authors: Zhenze Yang | Sarah K. Yorke | Tuomas P. J. Knowles | Markus J. Buehler
Source: Science Advances (article, 2025-03-26)
Field: Materials Science — Biomaterials

Learning the rules of peptide self-assembly through data mining with large language models Peptides are ubiquitous and important biomolecules that self-assemble into diverse structures. Although extensive research has explored the effects of chemical composition and exterior conditions on self-assembly, a systematic study consolidating these data to uncover global rules is lacking. In this work, we curate a peptide assembly database through a combination of manual processing by human experts and large language model-assisted literature mining. As a result, we collect over 1000 experimental data entries with information about peptide sequence, experimental conditions, and corresponding self-assembly phases. Using the data, machine learning models are developed, demonstrating excellent accuracy (>80%) in assembly phase classification. Moreover, we fine-tune a GPT model for peptide literature mining with the developed dataset, which markedly outperforms the pretrained model in extracting information from academic publications. This workflow can improve efficiency when exploring potential self-assembling peptide candidates, through guiding experimental work, while also deepening our understanding of the governing mechanisms. Workflow ; Computer science ; Data mining ; Work (physics) ; Peptide ; Artificial intelligence ; Data science ; Database ; Chemistry ; Engineering Supramolecular Self-Assembly in Materials ; Chemical Synthesis and Analysis ; Protein Structure and Dynamics
Authors: Chung Won Lee | Seung Ju Kim | Han-Kyun Shin | Youngjun Cho | Changhyeon Yoo | Sang Sub Han | Hyo‐Jong Lee | Jung Han Kim | Yeonwoong Jung
Source: Nano Today (article, 2025-01-10)
Field: Materials Science — Materials Chemistry

Optically-modulated and mechanically-flexible MXene artificial synapses with visible-to-near IR broadband-responsiveness Broadband ; Materials science ; Nanotechnology ; Optoelectronics ; Telecommunications ; Engineering MXene and MAX Phase Materials ; Advanced Memory and Neural Computing ; 2D Materials and Applications
Authors: Xiaotong Chen | Difan Wang | Weiqiang Ding | Hengchang Zang | Lianhe Li
Source: Pharmaceutical Science Advances (article, 2025-02-16)
Field: Materials Science — Materials Chemistry

Single-walled carbon nanotubes sensors: Preparation and bio-application advances Molecular recognition and detection are the main concerns in the field of biological analysis because they can be affected by various factors. Single-walled carbon nanotube (SWCNTs)-based optical biosensors have been applied in this field owing to their high sensitivity, good fluorescence stability, and tissue transparency. Purification of single-chiral SWCNTs and surface functionalization of SWCNTs are effective strategies for achieving real-time monitoring and high-throughput screening of biological analytes. Combining these technologies with microfluidic platforms and machine learning algorithms further broadens the application areas of sensors and enhances their analytical performance and usefulness in complex biological systems. Therefore, this review first discusses the preparation methods for single-chiral SWCNTs in recent years and introduces covalent and non-covalent functionalization techniques for SWCNTs, including oligonucleotide chains, peptides, and surfactant modifications. Subsequently, we systematically evaluate the applications of functionalized SWCNT biosensors for recognizing small molecules, including gas phase composition, neurotransmitters, and reactive oxygen species. These biosensors have been shown to have high sensitivity and specificity in the detection of a wide range of small molecules, offering a wide range of possibilities for analyzing volatile organic compounds, signaling molecules, and reactive oxygen species within biological systems, and providing new ways of gaining insights into the complex mechanisms of disease progression. Finally, we have analyzed the ability of SWCNT biosensors to recognize biomolecules in various categories, including proteins, nucleic acids, and lipids. Using these sensors for clinical disease diagnosis improves the accuracy and timeliness of diagnosis and opens up new ways to improve patients' prognosis and quality of life. We believe that SWCNT biosensors have great potential for future development in biomedicine. Carbon nanotube ; Nanotechnology ; Materials science Carbon Nanotubes in Composites ; Nanopore and Nanochannel Transport Studies ; Nanotechnology research and applications
Authors: Abdulaziz A. Alanazi | WesamEldin I. A. Saber | Murad A. AlDamen | Khaled M. Elattar
Source: International Journal of Biological Macromolecules (article, 2025-03-29)
Field: Chemistry — Organic Chemistry

Sustainable green synthesis of high-performance Fe2O3@CeO2-pullulan nanocomposite for efficient dye removal, and antifungal applications Pullulan ; Antifungal ; Nanocomposite ; Chemistry ; Green chemistry ; Chemical engineering ; Nanotechnology ; Materials science ; Microbiology ; Organic chemistry ; Polysaccharide ; Biology ; Catalysis ; Engineering Nanomaterials for catalytic reactions ; Nanoparticles: synthesis and applications ; Adsorption and biosorption for pollutant removal
Authors: Huanhuan Wei | Yi-Qun Tang | Yao‐Peng Liu | Siu-Lai Chan
Source: Structures (review, 2025-05-31)
Field: Materials Science — Materials Chemistry

Research on durability and mechanical properties of high strength steel in corrosive environment: A review Durability ; Materials science ; Composite material ; Structural engineering ; Construction engineering ; Engineering Corrosion Behavior and Inhibition ; Hydrogen embrittlement and corrosion behaviors in metals ; Structural Integrity and Reliability Analysis
Authors: Shengwei Sun
Source: ACS Applied Bio Materials (review, 2025-02-13)
Field: Materials Science — Biomaterials

Enzyme-Embedded Biodegradable Plastic for Sustainable Applications: Advances, Challenges, and Perspectives Global plastic production is increasing yearly, with packaging materials and disposable plastics accounting for a sizable portion of the total. Despite its apparent advantages, the resulting plastic waste accumulates in landfills and oceans, causing severe environmental and public health issues. Shifting from conventional plastics to biodegradable plastics (BPs) is increasingly being proposed as an efficient management of end-of-life plastics. While several BPs such as poly(lactic acid), poly(ε-caprolactone), and poly(hydroxyalkanoates) have been widely used, their biodegradation rates often do not meet the anticipated level under home-compost or other certain environments (e.g., soil, marine). Recently, enzyme-embedded BPs have emerged as an outstanding alternative to currently used synthetic plastics. It achieves rapid degradation and compostability by introducing a specific enzyme into the biodegradable polymer. In this context, this review aims to summarize the recent advances in the development of such superior biomaterials. It identifies and prioritizes the critical success factors required for the production of enzyme-embedded BPs. The review also discusses several challenges in the development and application of these innovative polymer materials. Biodegradable plastic ; Business ; Materials science ; Nanotechnology ; Biochemical engineering ; Engineering ; Composite material biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Additive Manufacturing and 3D Printing Technologies
Authors: Jiangtao Zhao | Abolfazl Ziarati | Thomas Bürgi
Source: Angewandte Chemie International Edition (review, 2025-04-15)
Field: Materials Science — Materials Chemistry

Tuning Atomically Precise Gold Nanoclusters for Selective Electroreduction of CO <sub>2</sub> The electroreduction of greenhouse gas CO<sub>2</sub> into high-value-added chemicals using renewable electricity is a promising way to mitigate climate change and realize carbon cycling. Atomically precise thiolate-protected gold nanoclusters have shown great potential for selective electrochemical conversion of CO<sub>2</sub> toward CO due to their quantum confinement effect and unique electronic structures. Additionally, the atomic precision of gold nanocluster is advantageous for investigating the CO<sub>2</sub> reduction mechanism, which is typically challenging to understand due to the complexity of the catalytic interface, and unknown structure of the active site in more conventional catalysts. By summarizing CO<sub>2</sub> reduction catalyzed by gold nanoclusters, we aim to identify key factors that contribute to the activity, selectivity, and stability of nanocluster catalysts, as well as elucidate the CO₂ reduction pathway, thereby contributing to the design of more active and selective nanocluster catalysts for CO<sub>2</sub> reduction. Nanoclusters ; Catalysis ; Materials science ; Nanotechnology ; Electrochemistry ; Selectivity ; Chemistry ; Electrode ; Physical chemistry ; Organic chemistry Nanocluster Synthesis and Applications ; Quantum Dots Synthesis And Properties ; Advanced Nanomaterials in Catalysis
Authors: Francisco Márquez
Source: Batteries (article, 2025-10-02)
Field: Materials Science — Materials Chemistry

MXenes in Solid-State Batteries: Multifunctional Roles from Electrodes to Electrolytes and Interfacial Engineering MXenes, a rapidly emerging family of two-dimensional transition metal carbides and nitrides, have attracted considerable attention in recent years for their potential in next-generation energy storage technologies. In solid-state batteries (SSBs), they combine metallic-level conductivity (&gt;103 S cm−1), adjustable surface terminations, and mechanical resilience, which makes them suitable for diverse functions within the cell architecture. Current studies have shown that MXene-based anodes can deliver reversible lithium storage with Coulombic efficiencies approaching ~98% over 500 cycles, while their use as conductive additives in cathodes significantly improves electron transport and rate capability. As interfacial layers or structural scaffolds, MXenes effectively buffer volume fluctuations and suppress lithium dendrite growth, contributing to extended cycle life. In solid polymer and composite electrolytes, MXene fillers have been reported to increase Li+ conductivity to the 10−3–10−2 S cm−1 range and enhance Li+ transference numbers (up to ~0.76), thereby improving both ionic transport and mechanical stability. Beyond established Ti-based systems, double transition metal MXenes (e.g., Mo2TiC2, Mo2Ti2C3) and hybrid heterostructures offer expanded opportunities for tailoring interfacial chemistry and optimizing energy density. Despite these advances, large-scale deployment remains constrained by high synthesis costs (often exceeding USD 200–400 kg−1 for Ti3C2Tx at lab scale), restacking effects, and stability concerns, highlighting the need for greener etching processes, robust quality control, and integration with existing gigafactory production lines. Addressing these challenges will be crucial for enabling MXene-based SSBs to transition from laboratory prototypes to commercially viable, safe, and high-performance energy storage systems. Beyond summarizing performance, this review elucidates the mechanistic roles of MXenes in SSBs—linking lithiophilicity, field homogenization, and interphase formation to dendrite suppression at Li|SSE interfaces, and termination-assisted salt dissociation, segmental-motion facilitation, and MWS polarization to enhanced electrolyte conductivity—thereby providing a clear design rationale for practical implementation. MXenes ; Energy storage ; Anode ; Faraday efficiency ; Electrolyte ; Supercapacitor ; Lithium (medication) ; Electrode ; Cathode MXene and MAX Phase Materials ; Nanomaterials for catalytic reactions ; Advancements in Battery Materials
Authors: Yeganeh Mohammadi Shahandashti | Sepehr Larijani | Mahnaz Eskandari | Atefeh Zarepour | Arezoo Khosravi | Siavash Iravani | Ali Zarrabi
Source: RSC Advances (review, 2025-01-01)
Field: Materials Science — Materials Chemistry

Biomedical potentials of MXene-based self-powered wearable devices: the future of next-generation wearables MXene-based self-powered wearable devices have emerged as a groundbreaking innovation in the biomedical field, offering significant advancements in health monitoring, disease diagnosis, and therapeutic interventions. This review delves into the unique properties of MXene-based composites, including their excellent electrical conductivity, high mechanical strength, tunable surface chemistry, promising biocompatibility and biodegradability, antibacterial activity, photothermal properties, electrochemical activity, and enzyme-mimicking capabilities, which render them ideal candidates for powering advanced biosensors and other wearable technologies. By capturing energy from body movements or thermal gradients, these devices can operate autonomously, eliminating reliance on external power sources and enhancing user convenience. The integration of MXenes into biosensing applications allows for the continuous and non-invasive monitoring of vital signs and biomarkers, facilitating early detection of diseases such as cancer and diabetes. Additionally, the potential for localized therapeutic applications, such as photothermal therapy, positions MXene-based devices as versatile tools in personalized medicine. Herein, we aim to critically examine the biomedical potentials of MXene-based self-powered wearable devices, focusing on their applications in health monitoring, disease diagnosis, and therapeutic interventions. Additionally, this review focuses on the challenges confronting MXene-based self-powered wearable devices, while also exploring future perspectives and innovations that could enhance their performance and applicability in biomedical fields. Wearable computer ; Wearable technology ; Photothermal therapy ; MXenes ; Human health MXene and MAX Phase Materials ; Advanced Sensor and Energy Harvesting Materials ; Advanced Memory and Neural Computing
Authors: Hao Tong | Bei Xu | Xinchao Wang | Hongrui Zheng | Shangda Li | Fei Wang | Jian Zhang
Source: Polyoxometalates (article, 2025-06-19)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Circularly polarized luminescence enhancement in rare-earth MOFs due to framework chirality and host–guest energy transfer Chiral metal-organic frameworks (CMOFs) incorporating rare-earth ions hold great promise for circularly polarized luminescence (CPL) applications due to their structural tunability and strong emission. Herein, we report two pairs of enantiomeric rare-earth CMOFs synthesized via direct self-assembly of optically pure 1,3-bis((<em>S</em>)- or (<em>R</em>)-1-carboxyethyl)-1<em>H</em>-imidazol-3-ium chloride ([L/D-(H<sub>2</sub>IDPA)⁺Cl⁻]) with lanthanide ions. The resulting Tb-based framework, <strong>L-Tb-1</strong>, exhibits intrinsic CPL with a dissymmetry factor (|<em>g</em><sub>lum</sub>|) of 0.016, attributed to efficient chirality transfer and the antenna effect. Upon introducing MnCl<sub>4</sub><sup>2</sup>⁻ as a luminescent guest into the framework channels, the CPL activity of <strong>L-Tb-2∙(MnCl<sub>4</sub><sup>2</sup></strong><strong>⁻</strong><strong>)</strong> is markedly enhanced, achieving a |<em>g</em><sub>lum</sub>| of 0.071. Control experiments and spectral analysis confirm that this enhancement arises from synergistic host-guest energy transfer and chiral transfer. This work demonstrates a modular strategy for constructing CPL-active rare-earth CMOFs and provides a general design principle for tuning chiroptical properties via host-guest interactions. Chirality (physics) ; Luminescence ; Rare earth ; Energy transfer ; Host (biology) ; Circular polarization ; Materials science ; Optoelectronics ; Nanotechnology ; Physics ; Chemical physics ; Optics ; Biology ; Ecology ; Particle physics Crystal Structures and Properties ; Luminescence Properties of Advanced Materials ; Magnetism in coordination complexes
Authors: Na Wang | Jie Yang | Shao‐Meng Li | Ziqiu Ren | Qun Xu
Source: Chemical Science (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Microenvironment modulation of single-atom sites and its applications in Fenton-like reactions Single-atom catalysts (SACs) featuring ultrahigh atom utilization, tunable coordination environments, and distinct structure-activity relationships have emerged as a prominent class of catalysts in heterogeneous Fenton-like reactions. Precise modulation of microenvironments around active single-atom sites offers a promising avenue to enhance catalytic activity, direct reaction pathways, and elucidate underlying mechanisms; however, achieving such control remains a significant challenge. This review systematically delineates the microenvironment modulation strategies of SACs in heterogeneous Fenton-like systems, encompassing coordination environment engineering, support/ligand-mediated electronic regulation, spatial confinement regulation, and external field effects. By manipulating ligand properties, modifying supports, altering electronic structures, controlling the local environment and introducing an external field, these strategies synergistically enhance the catalytic performance and regulate the underlying reaction mechanisms. Moreover, analysis of correlations among active-center microenvironment structures, Fenton reactivity, and reactive oxygen species (ROS) generation pathways offers valuable insights for future research and development in this domain. Finally, by addressing the critical challenges in SAC design and nascent microenvironment engineering, this review delineates future research directions for SACs in Fenton-like systems and analogous catalytic processes. Catalysis ; Modulation (music) ; Ligand (biochemistry) ; Heterogeneous catalysis ; Field (mathematics) ; Tumor microenvironment Inorganic and Organometallic Chemistry ; Oxidative Organic Chemistry Reactions ; Electrochemical Analysis and Applications
Authors: Asterios Charisiadis | Vasilis Nikolaou | Emmanouil Nikoloudakis | Kalliopi Ladomenou | Georgios Charalambidis | Athanassios G. Coutsolelos
Source: Chemical Communications (review, 2025-01-01)
Field: Materials Science — Materials Chemistry

Metalloporphyrins in bio-inspired photocatalytic conversions Numerous natural systems contain porphyrin derivatives that facilitate important catalytic processes; thus, developing biomimetic photocatalytic systems based on synthetic metalloporphyrins constitutes a rapidly advancing and fascinating research field. Additionally, porphyrins are widely investigated in a plethora of applications due to their highly versatile structure, presenting advantageous photoredox, photophysical and photochemical properties. Consequently, such metallated tetrapyrrolic macrocycles play a prominent role as photosensitizers and catalysts in developing artificial photosynthetic systems that can store and distribute energy through fuel forming reactions. This review highlights the advances in the field of metalloporphyrin-based biomimetic photocatalysis, particularly targeting water splitting, including both hydrogen and oxygen evolution reactions, carbon dioxide reduction and alcohol oxidation. For each photocatalytic system different approaches are discussed, concerning either structural modifications of the porphyrin derivatives or the phase in which the process takes place, <i>i.e.</i> homogenous or heterogenous. The most important findings for each porphyrin-based photocatalytic reaction are presented and accompanied by the analysis of mechanistic aspects when possible. Finally, the perspectives and limitations are discussed, providing future guidelines for the development of highly efficient metalloporphyrin-based biomimetic systems towards energy and environmental applications. Photocatalysis ; Chemistry ; Nanotechnology ; Chemical engineering ; Photochemistry ; Catalysis ; Combinatorial chemistry ; Materials science ; Organic chemistry Porphyrin and Phthalocyanine Chemistry ; Electrocatalysts for Energy Conversion ; Electrochemical sensors and biosensors