jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Eleonora Pargoletti | Yury Gogotsi
Source: ChemCatChem (article, 2025-07-03)
Field: Materials Science — Materials Chemistry

MXene‐Based Nanozymes: Current Challenges and Future Prospects Abstract MXene‐based nanozymes (recently called MXenzymes) have emerged as promising candidates for environmental remediation, biomedical, (bio‐)catalytic, and sensing technologies due to their surface tunability, tailored electronic properties, remarkable electrical conductivity, and high surface area. These materials offer significant advantages over traditional enzymes, such as enhanced stability, tunable catalytic activity, and multifunctionality. However, despite the increasing number of studies in this field, critical challenges remain, including the long‐term stability, the lack of studies on structure–activity relationships to better understand the catalytic mechanisms, and the scalability required for real‐world applications. This mini‐review provides a comprehensive overview of the most recent advancements in MXenzymes, focusing on the type of MXenes used, the reported enzyme‐like activity, and the role of the photothermal effects in enhancing their catalytic performance. Moreover, key limitations, such as oxidation susceptibility, biocompatibility concerns, and the scarce in‐depth mechanistic studies, are critically examined. Last, the necessary steps to transition from proof‐of‐concept studies to real‐world applications are discussed. By addressing the listed fundamental challenges, MXenzymes could represent a valuable and effective alternative to natural enzymes used in catalysis, medicine, and environmental science. Current (fluid) ; Nanotechnology ; Biochemical engineering ; Materials science ; Engineering MXene and MAX Phase Materials ; Advanced Nanomaterials in Catalysis ; Graphene and Nanomaterials Applications
Authors: Min Yi | Yiming Li | Jie Hui | Senyi Deng
Source: Thoracic Cancer (review, 2025-07-01)
Field: Materials Science — Biomaterials

Nanotechnology‐Driven Drug Delivery Systems for Lung Cancer: Computational Advances and Clinical Perspectives Lung cancer remains one of the leading causes of cancer-related deaths worldwide, underscoring the urgent need for transformative therapeutic strategies. Conventional treatments face critical limitations, including poor targeting efficiency, systemic toxicity, and resistance to targeted therapies. Nanotechnology offers promising solutions by enabling enhanced drug stability, bioavailability, and targeting precision. This review integrates recent advancements in nanotechnology-driven drug delivery systems with a particular focus on computational tools that optimize nanocarrier design. Molecular simulations, quantum mechanics, and AI-driven models have emerged as powerful approaches to streamline development, accelerate innovation, and enable personalized therapies. Clinically, several nanocarrier-based formulations have been associated with favorable therapeutic outcomes in lung cancer patients, including extended progression-free survival and reduced treatment-related toxicity. Despite these advancements, challenges remain in scaling production, ensuring regulatory compliance, and achieving broad clinical adoption. By addressing these barriers through interdisciplinary collaboration, nanotechnology holds the potential to revolutionize lung cancer therapy and set new standards for precision oncology. Nanocarriers ; Medicine ; Lung cancer ; Drug delivery ; Nanotechnology ; Risk analysis (engineering) ; Drug ; Pharmacology ; Oncology Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Lung Cancer Research Studies
Authors: Pablo Lozano‐Reis | Kai S. Exner
Source: Materials Horizons (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Unveiling selectivity trends for CO <sub>2</sub> reduction reaction over Ti <sub>3</sub> C <sub>2</sub> T <sub> <i>x</i> </sub> MXene: the key role of less-stable intermediate states and coadsorbates The electrochemical conversion of carbon dioxide <i>via</i> the CO<sub>2</sub> reduction reaction (CO<sub>2</sub>RR) is an attractive strategy for the production of value-added chemicals. However, the CO<sub>2</sub>RR suffers from a selectivity problem due to the large number of carbon-based products that can be obtained and the competing hydrogen evolution reaction (HER). It has been experimentally shown that the ratio and chemical nature of terminal groups, T<sub><i>x</i></sub>, present on the Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> (T<sub><i>x</i></sub> = O, OH or F) surface under electrochemical conditions affect selectivity and activity trends of the MXene electrocatalyst. In the present manuscript, we use electronic structure theory calculations to comprehend the selectivity trends in the CO<sub>2</sub>RR over Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> with different terminal groups, including *OH and *F adsorbates. We show that the traditional modeling approach used in calculations to derive activity and selectivity trends, which only includes the most stable intermediate state in the analysis, is not consistent with experimental observations. Rather, it is necessary to include energetically less favorable intermediate states and coadsorbates in the analysis of mechanistic pathways. Remarkably, the inclusion of less-stable intermediates, although stable on the electrode surface, and coadsorbates opens up new reaction channels that are energetically more favorable, and only by considering these extensions are we able to map our results to the experimental data. We believe that the reported finding is not only limited to the CO<sub>2</sub>RR or MXene systems, but likely also plays an important role in other catalytic transformations under applied bias. Key (lock) ; Selectivity ; Reduction (mathematics) ; Materials science ; Nanotechnology ; Chemical engineering ; Chemistry ; Catalysis ; Computer science ; Engineering ; Organic chemistry ; Computer security ; Mathematics MXene and MAX Phase Materials ; Advanced Photocatalysis Techniques ; Ammonia Synthesis and Nitrogen Reduction
Authors: Ambika Chaturvedi | Rajiv Ranjan
Source: Frontiers in Nanotechnology (article, 2025-11-14)
Field: Materials Science — Materials Chemistry

Antimicrobial nanoparticles: a new horizon to combat multidrug-resistant bacteria Antimicrobial nanoparticles (NPs) exhibit revolutionary potential against infections due to their unique physicochemical properties that enhance antimicrobial activity. Antimicrobial NPs employ various mechanisms and pathways, including ROS generation, cell membrane disruption, DNA and protein damage, interference with metabolic pathways, and the electron transport chain, that eventually lead to microbial cell death. They are more beneficial than conventional antibiotics and have broad-spectrum efficacy with lower risk of resistance. Specifically, antibacterial NPs have a wide range of applications in various fields, such as food safety (e.g., antimicrobial packaging), water purification, healthcare (e.g., wound healing, coatings on medical devices), agriculture (e.g., disease management, plant protection), and industrial products (e.g., textiles, personal care items). Despite their promising potential, challenges such as toxicity, environmental impact, and regulatory limitations remain critical for their sustainable use. This review aims to provide the critical insight into various antibacterial NPs applications, mechanisms of action, and future scope, highlighting their potential prospects for safe and optimal use. Antimicrobial ; Antibiotics ; Bacteria ; Antibiotic resistance ; Agriculture ; Disease Nanoparticles: synthesis and applications ; Antimicrobial agents and applications ; Nanocomposite Films for Food Packaging
Authors: Khaireldin Faraj | Jalal Faraj | Cathy Castelain | Mahmoud Khaled
Source: International Journal of Hydrogen Energy (article, 2025-02-17)
Field: Materials Science — Materials Chemistry

Use of PCMs in metal hydride reactors for enhancing hydrogen absorption and desorption: A short recent review Hydride ; Desorption ; Hydrogen ; Materials science ; Hydrogen storage ; Metal ; Absorption (acoustics) ; Nuclear engineering ; Chemical engineering ; Chemistry ; Metallurgy ; Adsorption ; Composite material ; Engineering ; Physical chemistry ; Organic chemistry Hydrogen Storage and Materials ; Hybrid Renewable Energy Systems ; Phase Change Materials Research
Authors: Peter R. Makgwane | Sudhakar Muniyasamy | Lerato Hlekelele | Andri Swanepoel | Venkata Satyanarayana Sypu | Lindani Mdlalose | Shan Naidoo | Zamani E. D. Cele | Arjun Maity | Mohammed O. Balogun | Orebotse Joseph Botlhoko
Source: JOURNAL OF RENEWABLE MATERIALS (article, 2025-01-01)
Field: Materials Science — Biomaterials

Biobased Biodegradable Polybutylene Succinate Polymers and Composites: Synthesis, Structure Properties and Applications—A Review The materialization of polybutylene succinate (PBS) belongs to the family of polyesters which are degradable and biodegradable, their biodegradability properties have attracted enormous interest for product development toward... | Find, read and cite all the research you need on Tech Science Press Polybutylene succinate ; Materials science ; Biodegradable polymer ; Composite material ; Polymer ; Polymer science biodegradable polymer synthesis and properties
Authors: E. Safamariyam | K. P. Synumol | Anu Jayanthi Panicker | Mizaj Shabil Sha | S Roshan | Sarada Prasad Dakua | Vaisali Chandrasekar | Ajay Vikram Singh | Kishor Kumar Sadasivuni
Source: Journal of Fluorescence (article, 2025-02-07)
Field: Materials Science — Materials Chemistry

An Insight Into Unveiling Nano Luminescence for Industrial Dye Detection Dye, a major contaminant from the textile, paper, and pulp industries, is a serious environmental and human health hazard. Because of their low cost, environmental friendliness, and sustainability, semiconductor nanoparticles are among the most effective photocatalysts for detecting dyes in wastewater. Quantum dots (QDs), particularly Carbon quantum dots (CQDs), have received a lot of attention due to their unique optical and electrical properties, making them excellent for applications such as sensing and detection. This paper describes a unique microwave-assisted method for synthesising CQDs in ambient reaction conditions, providing a fast, scalable, and passivation-free alternative to traditional methods. The CQDs were characterised using SEM, XRD, FTIR, UV-Vis spectrophotometry, and photoluminescence, which confirmed their uniform size distribution and outstanding optical characteristics. The CQDs had detection limits of 0.413 ppm for cresol red and 0.847 ppm for cresol purple, indicating great sensitivity and selectivity over a wide pH range. These findings propose a new, sustainable, and cost-effective alternative for tackling water pollution and its detrimental effects on aquatic ecosystems, hence increasing the use of Carbon QDs in environmental restoration. Chemistry ; Photoluminescence ; Nanotechnology ; Quantum dot ; Passivation ; Environmental pollution ; Luminescence ; Nanoparticle ; Pulp and paper industry ; Environmental chemistry ; Optoelectronics ; Materials science ; Environmental science ; Organic chemistry ; Environmental protection Carbon and Quantum Dots Applications ; Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications
Authors: Mikkel Juelsholt
Source: ChemRxiv (preprint, 2025-06-19)
Field: Materials Science — Materials Chemistry

Continued Challenges in High-Throughput Materials Predictions: MatterGen predicts compounds from the training dataset. High-throughput computational tools and generative AI models aim to revolutionise materials discovery by enabling the rapid prediction of novel inorganic compounds. However, these tools face persistent challenges with modelling compounds where multiple elements occupy the same crystallographic site, often leading to misclassification of known disordered phases as new ordered compounds. Recently, Microsoft revealed MatterGen as a tool for predicting new materials. As a proof of concept, MatterGen was used to predict the novel compound TaCr2O6, which was subsequently synthesised in a disordered form as Ta1/3Cr2/3O2. However, detailed crystallographic analysis, presented in this paper, reveals that this is not a novel compound but is identical to the already known compound Ta1/2Cr1/2O2 reported in 1972 and actually included in MatterGen’s training dataset. These findings underscore the necessity of rigorous human verification in AI-assisted materials research, limiting their use for rapid and large-scale prediction of new materials. While generative models hold great promise, their effectiveness is currently limited by unresolved issues with disorder prediction and dataset validation. Improved integration with crystallographic expertise is essential to realise their full potential. Limiting ; Computer science ; Generative grammar ; Throughput ; Scale (ratio) ; Training set ; Machine learning ; Artificial intelligence ; Engineering ; Physics Machine Learning in Materials Science ; X-ray Diffraction in Crystallography ; Electron and X-Ray Spectroscopy Techniques
Authors: Gamzenur Özsin
Source: Polymers (article, 2025-08-12)
Field: Materials Science — Materials Chemistry

Exploring the Thermal Degradation of Bakelite: Non-Isothermal Kinetic Modeling, Thermodynamic Insights, and Evolved Gas Analysis via Integrated In Situ TGA/MS and TGA/FT-IR Techniques Thermogravimetric analysis (TGA) is a key technique for evaluating the kinetics and thermodynamics of thermal degradation, providing essential data for material assessment and system design. When coupled with Fourier-transform infrared (FT-IR) spectroscopy or mass spectroscopy (MS), it enables the identification of evolved gases and correlates mass loss with specific chemical species, offering detailed insight into decomposition mechanisms. In this study, TGA was coupled with FT-IR and MS to investigate the thermal degradation behavior of Bakelite, with the aim of evaluating its kinetic and thermodynamic parameters under non-isothermal conditions, identifying evolved volatile compounds, and elucidating the degradation process. The results showed that higher heating rates led to increased decomposition temperatures and broader dTG peaks due to thermal lag effects. The degradation proceeded in multiple stages between 220 °C and 860 °C, ultimately yielding a carbonaceous residue. The activation energy increased with conversion, particularly beyond 0.5, indicating a greater energy requirement as degradation progressed. Peak values at conversion degrees of 0.8-0.9 suggested enhanced thermal stability or changes in the dominant reaction mechanism. Detailed kinetic analysis revealed complex decomposition pathways with variable activation energies and a pronounced kinetic compensation effect. Thermodynamic analysis confirmed the endothermic nature of the process, with increasing energy demand and non-spontaneous degradation of the resulting char. TGA/FT-IR and TGA/MS analyses identified the release of several compounds, including CO<sub>2</sub>, water, formaldehyde, and phenolic derivatives, at distinct stages. This comprehensive understanding of Bakelite's thermal behavior supports its optimization for high-temperature applications, enhances material reliability and safety, and contributes to sustainable processing and recycling strategies. Thermogravimetric analysis ; Endothermic process ; Isothermal process ; Evolved gas analysis ; Thermal decomposition ; Thermal analysis ; Fourier transform infrared spectroscopy ; Char ; Thermal stability ; Pyrolysis ; Materials science ; Decomposition ; Chemical engineering ; Thermodynamics ; Activation energy ; Chemistry ; Thermogravimetry ; Physical chemistry ; Organic chemistry ; Thermal ; Inorganic chemistry Thermal and Kinetic Analysis ; Iron and Steelmaking Processes ; Metal Extraction and Bioleaching
Authors: Sarah Zulfa Khairunnisa | Olga Guselnikova | Yunqing Kang | Павел С. Постников | Rashid R. Valiev | Jonathan P. Hill | Nugraha Nugraha | Brian Yuliarto | Yusuke Yamauchi | Joel Henzie
Source: ACS Nano (article, 2025-07-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Hyperuniform Mesoporous Gold Films Coated with Halogen-Bonding Metal–Organic Frameworks for Selective Raman Sensing of Chlorinated Hydrocarbons The selective detection of chlorinated aromatic hydrocarbons (CAHs) in environmental samples is challenging due to matrix interference effects. We report a surface-enhanced Raman spectroscopy (SERS) sensor that combines mesoporous Au films with UiO-66-I metal-organic framework (MOF) coatings to achieve the selective detection of CAHs. We show that mesoporous Au films can be considered hyperuniform two-dimensional (2D) materials where long-range correlations and local disorder assist in electromagnetic hotspot formation for SERS. Infiltrating the mesoporous Au films with UiO-66-I serves dual functions critical to sensor performance: First, its iodine-functionalized linkers selectively recruit CAHs from complex matrices through halogen bonding (HaB), concentrating target molecules at SERS hotspots while excluding common interferents. Second, the high refractive index of the MOF enhances light coupling by limiting scattered light, concentrating optical energy on the adsorbed CAHs for SERS enhancement. At optimal MOF thickness, the sensor achieves a detection limit below 1 × 10<sup>-10</sup> M for 1,4-dichlorobenzene and 4-chlorobiphenyl, surpassing environmental standards by several orders of magnitude. The sensor demonstrates excellent selectivity for CAHs over common interferents, including protein, polycyclic aromatic hydrocarbons, and complex environmental matrices. Furthermore, the sensor maintains performance through multiple adsorption-desorption cycles, enabling reuse. This approach combines reticular chemistry with self-assembled nanostructured metals to achieve both high sensitivity and selectivity in complex environmental samples. Materials science ; Mesoporous material ; Metal-organic framework ; Selectivity ; Halogen ; Adsorption ; Raman spectroscopy ; Nanotechnology ; Chemistry ; Organic chemistry Gold and Silver Nanoparticles Synthesis and Applications ; Nanocluster Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: Antonija Grubišić‐Čabo | Marcos H. D. Guimarães | D. Afanasiev | Jose H Garcia Aguilar | Irene Aguilera | Mazhar N. Ali | Semonti Bhattacharyya | Yaroslav M. Blanter | Rixt Bosma | Zhiyuan Cheng | Zhiying Dan | Saroj P. Dash | Joaquín Medina Dueñas | J. Fernández‐Rossier | Marco Gibertini | Sergii Grytsiuk | Maurits J. A. Houmes | Anna Isaeva | Chrystalla Knekna | Arnold H. Kole | Samer Kurdi | José L. Lado | Samuel Mañas-Valero | J Marcelo J Lopes | Damiano Marian | MengXing Na | Falk Pabst | Sergio Barquero Pierantoni | Mexx Regout | Riccardo Reho | Malte Rösner | David Sanz | Toeno van der Sar | Jagoda Sławińska | Matthieu J. Verstraete | Muhammad Waseem | Herre S. J. van der Zant | Zeila Zanolli | David Soriano
Source: 2D Materials (article, 2025-03-10)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Roadmap on quantum magnetic materials Abstract Fundamental research on two-dimensional (2D) magnetic systems based on van der Waals materials has been rapidly gaining traction since their recent discovery. With the increase of recent knowledge, it has become clear that such materials have also a strong potential for applications in devices that combine magnetism with electronics, optics, and nanomechanics. Nonetheless, many challenges still lay ahead. Several fundamental aspects of 2D magnetic materials are still unknown or poorly understood, such as their often-complicated electronic structure, optical properties, magnetization dynamics, and magnon spectrum. To elucidate their properties and facilitate integration in devices, advanced characterization techniques and theoretical frameworks need to be developed or adapted. Moreover, developing synthesis methods which increase critical temperatures and achieve large-scale, high-quality homogeneous thin films is crucial before these materials can be used for real-world applications. Therefore, the field of 2D magnetic materials provides many challenges and opportunities for the discovery and exploration of new phenomena, as well as the development of new applications. This Roadmap presents the background, challenges, and potential research directions across key topics in the field, including fundamentals, synthesis, characterization, and applications. We hope that this work can provide a strong starting point for young researchers in the field and provide a general overview of the key challenges for more experienced researchers. Quantum ; Physics ; Quantum mechanics Magnetic and transport properties of perovskites and related materials ; Advanced Physical and Chemical Molecular Interactions ; Magnetic properties of thin films
Authors: Wei Zhang | Yaping He | Hongwei Zhu | Wei Li | Zhengsheng Zou | Chaogui Luo | Jianlie Wei | Baoying Lu | Duo Zhang | Ming Zhou
Source: Scientific Reports (article, 2025-02-04)
Field: Materials Science — Materials Chemistry

Graphene oxide and its derivatives films for sustained-release trace element zinc based on cation-π interaction Preventing and controlling agricultural non-point-source pollution, advancing the agricultural industry, and facilitating cation-π interaction to address cation instability and fertilizer loss are crucial for advancing agricultural sustainability. Due to the unique π-bond characteristics of GO (graphene oxide), it was selected as a cation carrier to improve fertilizer anti-loss capabilities and facilitate the effective release of nutrient ions. By adjusting the interface properties of GO, RGO (rippled graphene oxide) and CGO (crumpled graphene oxide) were successfully prepared, and their interactions with cations and the impact on sustained-release performance were studied. The selected optimal kinetic model provides a theoretical basis for material design. The results indicate that RGO-Zn1 (Zn<sup>2+</sup>/RGO = 16.7%) can not only effectively control agricultural non-point source pollution but also promote the cultivation of high-zinc rice. This study not only proposes an innovative solution for soil improvement and agricultural transformation and upgrading but also offers fundamental scientific insights into the cation-π interaction mechanism during transmembrane permeation. Zinc ; Trace element ; Graphene ; TRACE (psycholinguistics) ; Oxide ; Chemistry ; Inorganic chemistry ; Materials science ; Nanotechnology ; Organic chemistry Graphene research and applications ; Graphene and Nanomaterials Applications ; MXene and MAX Phase Materials
Authors: Rizwan Ul Hassan | Naseem Abbas | Jongkuk Ko
Source: Gels (review, 2025-01-02)
Field: Materials Science — Polymers and Plastics

Toward Customizable Smart Gels: A Comprehensive Review of Innovative Printing Techniques and Applications New production technologies have transformed modern engineering fields, including electronics, mechanics, robotics, and biomedicine. These advancements have led to the creation of smart materials such as alloys, polymers, and gels that respond to various stimuli. This review focuses on smart materials (SMs), including their variety and fabrication techniques, that can be used to construct three- or four-dimensional structures. The mechanisms and designs of smart materials, limitations of current printing technologies, and perspectives for their future uses are also discussed in this review. The printed smart materials are expected to have a major impact on the design of real-world applications. Biomedicine ; Variety (cybernetics) ; Smart material ; Computer science ; Construct (python library) ; Robotics ; 3D printing ; Electronics ; Nanotechnology ; Smart manufacturing ; Systems engineering ; Human–computer interaction ; Manufacturing engineering ; Engineering ; Mechanical engineering ; Materials science ; Robot ; Artificial intelligence ; Electrical engineering Polymer composites and self-healing ; Advanced Sensor and Energy Harvesting Materials ; Additive Manufacturing and 3D Printing Technologies