jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Bingbing Xiang | Jialiang Li | Bokun Chang | Rui Zhang
Source: Chemical Synthesis (article, 2025-04-17)
Field: Materials Science — Materials Chemistry

Metal-zeolite catalysts promoting low-temperature methane oxidation to oxygenates Catalytic conversion of methane (CH4) into value-added chemicals provides a viable path to reduce dependency on crude oil. Despite the challenges associated with activating methane’s C–H bond and limiting side reactions, low-temperature oxidation of methane to oxygenates has emerged as a promising approach, often hailed as a “grail reaction”. Zeolite-based metal (metal-zeolite) catalysts facilitate methane oxidation at low temperatures, converting methane into oxygenates while minimizing the complete oxidation to carbon dioxide (CO2). This review highlights recent achievements in metal-zeolite catalysts for methane partial and coupling oxidation. With zeolite as the core, we explore the synthesis methods, metallic active sites, reaction mechanisms, and zeolite descriptors of metal-zeolite catalysts for methane partial oxidation. Additionally, we examine the critical role of mono- and bi-metallic species in metal-zeolite catalysts for methane coupling oxidation with carbon monoxide (CO). Finally, we discuss the challenges and opportunities for metal-zeolite catalysts in methane oxidation under mild conditions, proposing future directions for rational design of metal-zeolite catalysts, revealing reaction mechanisms through operando or in situ techniques, and leveraging artificial intelligence (AI) for enhanced catalytic efficiency. Oxygenate ; Zeolite ; Catalysis ; Methane ; Metal ; Anaerobic oxidation of methane ; Inorganic chemistry ; Chemistry ; Chemical engineering ; Materials science ; Organic chemistry ; Engineering Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Catalysts for Methane Reforming
Authors: Ri Peng | Yuxin Xie | Shuai Yuan | Ruwei Shen | Dunru Zhu
Source: Acta Physico-Chimica Sinica (article, 2025-12-01)
Field: Chemistry — Inorganic Chemistry

Metal-Organic Frameworks (2014–2024): A decade pursuit for top performance Metal-organic framework ; Emerging technologies ; Porosity ; Open research ; Porous medium Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Multicomponent Synthesis of Heterocycles
Authors: Feng Yuan | Dan Peng | Man Lu | Kun Zhang | Peng Mi | Jinshun Xu
Source: Journal of Controlled Release (review, 2025-10-23)
Field: Materials Science — Biomaterials

Ultrasound-responsive nanocarriers for cancer therapy: Physiochemical features-directed design Nanocarriers ; Tumor microenvironment ; Biosafety ; Cancer ; Cancer treatment ; Scalability ; Translation (biology) ; Quality (philosophy) ; Cancer therapy Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Graphene and Nanomaterials Applications
Authors: Muhammad Saqib Iqbal | Zulhasni Abdul Rahim | Nooh Abu Bakar
Source: Journal of Chemical Technology & Biotechnology (article, 2025-04-15)
Field: Materials Science — Polymers and Plastics

Accelerating high‐value innovation with <scp>TRIZ</scp> patent literature review: validation study for shape‐memory polymers and smart materials Abstract The rapid advancement of shape‐memory polymers (SMPs) and smart materials requires systematic innovation methodologies to address technical contradictions and accelerate commercialisation. Integrating the theory of inventive problem solving (TRIZ) with patent literature review (PLR) provides a structured approach to identifying and resolving challenges in material science innovation. This study applies the TRIZ‐PLR framework to analyse SMP and smart material patent landscapes, identifying major technical contradictions, such as mechanical strength versus flexibility, precision versus production speed, and energy efficiency versus scalability. TRIZ tools such as the Contradiction Matrix and Separation Principles were applied to propose innovative solutions, including composite SMPs with nanofillers, dynamic feedback control in 3D printing, and real‐time energy optimisation systems. The study also compares TRIZ‐PLR with alternative innovation methodologies, highlighting its superiority in systematically resolving deep technical conflicts. The TRIZ‐PLR framework accelerates high‐value innovation by providing structured solutions to critical contradictions in SMPs and smart materials. A 71% increase in patent filings from 2019 to 2022 reflects industry interest in these materials, with key innovation hubs in China, the USA, Japan and South Korea. Further research should focus on AI‐driven analytics, interdisciplinary approaches, and expansion into emerging markets. © 2025 Society of Chemical Industry (SCI). TRIZ ; Value (mathematics) ; Patent analysis ; Engineering ; Manufacturing engineering ; Biochemical engineering ; Computer science ; Data science ; Machine learning Polymer composites and self-healing
Authors: Qi Tang | Sinan Wang | Xiongqi Zhai | Seon Beom Kim | Prabhakar Achanta | Gonzalo Rodolfo Malca Garcia | Yuzo Nishizaki | Yi Wang | Yu Tang
Source: Journal of Pharmaceutical Analysis (article, 2025-05-16)
Field: Chemistry — Spectroscopy

Applications of quantitative 13C NMR in pharmaceutical analysis: From small molecule drugs to biopolymers Chemical integrity is indispensable for advancing healthcare by ensuring the availability of high quality, safe, and effective pharmaceutical products. Ingredient quantification is particularly pivotal in this process. Nuclear magnetic resonance (NMR) spectroscopy is a powerful tool for both qualitative and quantitative analysis for complex systems. Compared with 1D quantitative <sup>1</sup>H NMR (<sup>1</sup>H qNMR), quantitative <sup>13</sup>C NMR (<sup>13</sup>C qNMR) holds some unique advantages. This technique offers a broader chemical shift range and the resulting much lesser signal overlap compare to <sup>1</sup>H NMR spectroscopy. This review summarizes relevant studies on the use of <sup>13</sup>C qNMR as a quantification technique, along with a focus on quantitative principles, influencing factors, and technical improvements of <sup>13</sup>C NMR. The review also highlights its applicability in quantifying diverse molecular structures in pharmaceutical analysis. In addition, potential of low-field NMR, artificial intelligence (AI)-driven method development, and hyphenation of NMR with other techniques for <sup>13</sup>C qNMR analysis is discussed and summarized as well. As a versatile method, <sup>13</sup>C qNMR holds great potential, and ongoing research is expected to unlock its full capabilities and expand its range of applications. Chemistry ; Carbon-13 NMR ; Molecule ; Computational chemistry ; Small molecule ; Organic chemistry Advanced NMR Techniques and Applications ; Analytical Chemistry and Chromatography ; NMR spectroscopy and applications
Authors: Artittaya Boonkird | Mouyang Cheng | Abhijatmedhi Chotrattanapituk | Denisse Córdova Carrizales | Ryotaro Okabe | Nathan C. Drucker | Manasi Mandal | Thanh Nguyen | Jingjie Yeo | Vsevolod Belosevich | Ellan F. Spero | Christine Ortiz | Qiong Ma | Liang Fu | Tomás Palacios | Farnaz Niroui | Mingda Li
Source: Materials Today (article, 2025-10-07)
Field: Materials Science — Materials Chemistry

Are quantum materials economically and environmentally sustainable? Quantum ; Scalability ; Microelectronics ; Metric (unit) ; Set (abstract data type) ; Energy (signal processing) ; Quantum technology Electronic and Structural Properties of Oxides ; Machine Learning in Materials Science ; Topological Materials and Phenomena
Authors: Guangliang Li | Yanjun Wu | Mingjun Hu | Ji’an Duan | Long Hu | Tielin Shi
Source: Journal of Alloys and Compounds (article, 2025-08-15)
Field: Materials Science — Materials Chemistry

Anisotropic two-dimensional materials for polarization-sensitive photodetectors: Fundamentals, architectures and applications Photodetector ; Anisotropy ; Materials science ; Nanotechnology ; Polarization (electrochemistry) ; Optoelectronics ; Physics ; Optics ; Chemistry 2D Materials and Applications ; Perovskite Materials and Applications ; Quantum Dots Synthesis And Properties
Authors: Kohei Aso | Koichi Higashimine | M. Miyata | Hiroshi Kamio | Yoshifumi Oshima
Source: Communications Chemistry (article, 2025-04-28)
Field: Materials Science — Materials Chemistry

Three-dimensional atomic-scale characterization of titanium oxyhydroxide nanoparticles by data-driven lattice correlation analysis Metal oxyhydroxides are essential nanomaterials for recent technologies because of their diverse applications, such as catalysis, adsorbents, and precursors of metal oxides. These applications rely on the controlled crystal structures of metal oxyhydroxides formed via hydrolyzed metal monomers' condensation. However, characterizing the atomic-scale structures of the metal oxyhydroxides has still been challenging due to their diverse structural types, nanometer-scale sizes, and beam sensitivity. Here, we developed a data-driven analysis approach for atom-resolved transmission electron microscopy images of titanium oxyhydroxide (metatitanic acid) nanoparticles. Lattice spacings and angles were measured for each of the 1300 nanoparticles with random crystal orientations, providing three-dimensional structural information. Our findings reveal their anatase-like structure with alternating layers of titanium dioxide (TiO<sub>2</sub>) and titanium hydroxide (Ti(OH)<sub>4</sub>) planes. The revealed structure is key to understanding their role as a precursor for metastable anatase TiO<sub>2</sub>. Our approach unveils the three-dimensional structure of metal oxyhydroxides with high statistical reliability and low electron dose, paving the way for property understanding and application design. Atomic units ; Materials science ; Characterization (materials science) ; Lattice (music) ; Nanoparticle ; Titanium ; Nanoscopic scale ; Scale (ratio) ; Nanotechnology ; Chemical physics ; Chemical engineering ; Metallurgy ; Chemistry ; Physics ; Engineering ; Quantum mechanics Machine Learning in Materials Science ; X-ray Diffraction in Crystallography ; Electron and X-Ray Spectroscopy Techniques
Authors: Grace Guinan | Addison Salvador | Michelle A. Smeaton | Andrew Glaws | Hilary Egan | Brian C. Wyatt | Babak Anasori | K Fiedler | Matthew J. Olszta | Steven R. Spurgeon
Source: APL Machine Learning (article, 2025-06-01)
Field: Materials Science — Materials Chemistry

Mind the gap: Bridging the divide between AI aspirations and the reality of autonomous microscopy What does materials science look like in the “Age of Artificial Intelligence?” Each material’s domain—synthesis, characterization, and modeling—has a different answer to this question, motivated by unique challenges and constraints. This work focuses on the tremendous potential of autonomous characterization within electron microscopy. We present our recent advancements in developing domain-aware, multimodal models for microscopy analysis capable of describing complex atomic systems. We then address the critical gap between the theoretical promise of autonomous microscopy and its current practical limitations, showcasing recent successes while highlighting the necessary developments to achieve robust, real-world autonomy. Bridging (networking) ; Psychology ; Computer science ; Computer security Machine Learning in Materials Science ; Artificial Intelligence in Healthcare and Education ; Cell Image Analysis Techniques
Authors: Hoon Hahn Yoon | Jin Young Park | Yonas Tsegaye Megra | J. Baek | Maojiang Song | Deji Akinwande | Daewon Ha | Dong‐Ho Kang | Hyeon‐Jin Shin
Source: npj 2D Materials and Applications (article, 2025-08-02)
Field: Materials Science — Materials Chemistry

Enabling the Angstrom Era: 2D material-based multi-bridge-channel complementary field effect transistors This review presents a strategic roadmap for integrating two-dimensional materials (2DMs) into multi-bridge channel (MBC) complementary field-effect transistors (CFETs). It highlights key integration challenges, essential design considerations, and industrialization strategies for 2DM-MBC CFETs. These advances are expected to enable ultra-small, energy-efficient, and high-performance devices in the Angstrom Era that transcend the scaling limitations of silicon technology, paving the way for innovative applications in artificial intelligence (AI), the Internet of Things (IoT), and edge computing. Angstrom ; Bridge (graph theory) ; Materials science ; Channel (broadcasting) ; Field-effect transistor ; Field (mathematics) ; Optoelectronics ; Engineering physics ; Transistor ; Nanotechnology ; Electrical engineering ; Engineering ; Crystallography ; Chemistry ; Medicine ; Mathematics Thermal properties of materials ; Graphene research and applications ; 2D Materials and Applications
Authors: N. G. KUNDU
Source: International Journal of Research Publication and Reviews (article, 2025-05-01)
Field: Materials Science — Biomaterials

Copper Nanoparticles as Emerging Anticancer Agents: Mechanistic Insights, Therapeutic Potential, and Future Perspectives Copper nanoparticles (CuNPs) have recently emerged as promising agents in cancer diagnosis and therapy due to their unique physicochemical properties, biocompatibility, and cost-effectiveness.This review aims to provide a comprehensive understanding of the role of CuNPs in oncology, with a focus on their synthesis strategies, surface modifications, and anticancer mechanisms including reactive oxygen species (ROS) generation, DNA damage, apoptosis induction, and disruption of tumor microenvironment.We also discuss recent advances in targeted drug delivery, photothermal therapy, and bioimaging facilitated by CuNPs.Challenges such as toxicity, stability, and targeted delivery are critically evaluated, along with insights into current preclinical and clinical investigations.The paper concludes by highlighting future directions, including the integration of copper nanotechnology with artificial intelligence and personalized medicine for improved cancer therapeutics. Nanotechnology ; Nanoparticle ; Chemistry ; Materials science Nanoparticle-Based Drug Delivery
Authors: Md. Saiful Islam | Sadit Bihongo Malitha | Md. Zahangir Alam | A. M. Sarwaruddin Chowdhury
Source: Energy Conversion and Management X (article, 2025-08-26)
Field: Chemistry — Spectroscopy

Emerging frontiers in aerogel-based energy storage: Bibliometric trends and AI-powered forecasts Aerogel, an extraordinary type of nanoporous material, has attracted considerable interest due to its remarkable characteristics, including a high surface area and porosity, a lightweight nature, low density, excellent thermal insulation, and electrical conductivity. Aerogels are utilized as electrode materials in supercapacitors and lithium-ion batteries (LIBs), and are also employed in thermal energy storage solutions. The integration of aerogel in energy storage enhances and furthers Sustainable Development Goal 7 (SDG 7) by providing access to affordable, reliable, and sustainable energy storage options. This study performs a bibliometric analysis using the Scopus database on the subject of “aerogel in energy storage.” The evolution of aerogel applications in energy storage is systematically examined based on factors such as articles, authors, journals, countries, institutions, and referenced citations. An analysis of burst keywords has been conducted to derive insights into research trends. Artificial intelligence (AI) models have been employed to assess consistency within the dataset and to forecast future research directions. This study provides a comprehensive overview for newcomers to understand the global research trends related to the application of aerogel in energy storage systems, aiming to facilitate the anticipation of future advancements in aerogel-based energy storage technologies. Aerogel ; Computer science ; Environmental science ; Data science ; Engineering ; Chemical engineering Aerogels and thermal insulation ; Supercapacitor Materials and Fabrication ; Advanced Photocatalysis Techniques
Authors: Gleyton Leonel Silva Sousa | Douglas C. Alcântara Pinto | Isabel Andrade | Gustavo Senra Gonçalves de Carvalho | Fernando de Carvalho da Silva
Source: European Journal of Medicinal Chemistry (article, 2025-07-01)
Field: Chemistry — Organic Chemistry

1,3-Thiazole nucleus as promising molecular platform against antimicrobial resistance: a recent overview in drug discovery Chemistry ; Thiazole ; Antimicrobial ; Antimicrobial drug ; Drug discovery ; Drug ; Nucleus ; Drug resistance ; Nanotechnology ; Combinatorial chemistry ; Pharmacology ; Stereochemistry ; Biochemistry ; Microbiology ; Organic chemistry ; Neuroscience Synthesis and biological activity ; Phenothiazines and Benzothiazines Synthesis and Activities ; Synthesis and Characterization of Heterocyclic Compounds
Authors: Paula Wagner-Egea | Florent Delhommel | Ghulam Mustafa | Florian Leiss-Maier | Lisa Klimper | Thomas Badmann | Anna Heider | Idoia Wille | M. Groll | Michael Sattler | Cathleen Zeymer
Source: Structure (article, 2025-11-05)
Field: Chemistry — Organic Chemistry

Modular protein scaffold architecture and AI-guided sequence optimization facilitate de novo metalloenzyme engineering Incorporating metal cofactors into computationally designed protein scaffolds provides a versatile route to novel protein functions, including the potential for new-to-nature enzyme catalysis. However, a major challenge in protein design is to understand how the scaffold architecture influences conformational dynamics. Here, we characterized structure and dynamics of a modular de novo scaffold with flexible inter-domain linkers. Three rationally engineered variants with different metal specificity were studied by combining X-ray crystallography, NMR spectroscopy, and molecular dynamics simulations. The lanthanide-binding variant was initially trapped in an inactive conformational state, which impaired efficient metal coordination and cerium-dependent photocatalytic activity. Stabilization of the active conformation by AI-guided sequence optimization using ProteinMPNN led to accelerated lanthanide binding and a 10-fold increase in k<sub>cat</sub>/K<sub>m</sub> for a photoenzymatic model reaction. Our results suggest that modular scaffold architectures provide an attractive starting point for de novo metalloenzyme engineering and that ProteinMPNN-based sequence redesign can stabilize desired conformational states. Scaffold ; Protein engineering ; Protein design ; Modular design ; Linker ; Scaffold protein ; Sequence (biology) ; Protein structure ; Cofactor Cyclopropane Reaction Mechanisms ; Enzyme Catalysis and Immobilization ; Metalloenzymes and iron-sulfur proteins
Authors: Xiaoyue Tan | Dan Wang | Yingrui Yao | Kaixuan Liu | Yuzhou Chen | Songsen Fu | Feng Ni
Source: PROTEOMICS (review, 2025-07-31)
Field: Chemistry — Organic Chemistry

Chemical Proteomics Probes: Classification, Applications, and Future Perspectives in Proteome‐Wide Studies Chemical proteomics probes serve as critical tools for investigating small molecule-protein interactions within complex biological systems. Traditionally, they are categorized into covalent probes and photoaffinity probes. They facilitate drug target discovery, targeted ligand screening, dynamic evaluation of enzyme activities in disease contexts, protein modification mapping, and bridging proteomics with other omics platforms. Despite their significant utility, challenges remain in probe design optimization, reduction of non-specific interactions, and expansion of targetable proteomic landscapes. Future research efforts are expected to focus on the development of novel probes, the integration of chemical proteomics with structural biology and artificial intelligence, and the advancement of clinical applications. These innovations will deepen our understanding of protein functions and support the advancement of precision medicine. In this review, we summarize the classification and fundamental principles of chemical proteomics probes and provide an in-depth discussion of their diverse applications. Proteomics ; Proteome ; Computational biology ; Data science ; Computer science ; Profiling (computer programming) ; Drug discovery ; Posttranslational modification ; Nanotechnology ; Biology ; Bioinformatics ; Biochemistry Click Chemistry and Applications ; Chemical Synthesis and Analysis ; Advanced Proteomics Techniques and Applications
Authors: Souvik Mondal | Saptarshi Roy | Mohamed Ksibi | Md. Ahmaruzzaman
Source: Applied Materials Today (article, 2025-05-01)
Field: Chemistry — Inorganic Chemistry

Harnessing stimuli-responsive moieties for next-gen smart metal-organic frameworks (MOFs): Designing strategies, key advancements and future perspectives Metal-organic framework ; Key (lock) ; Nanotechnology ; Smart material ; Engineering ; Computer science ; Systems engineering ; Cognitive science ; Materials science ; Chemistry ; Psychology ; Computer security ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Advanced Nanomaterials in Catalysis
Authors: Simona Baluchová | Josephus G. Buijnsters
Source: Advanced Materials Technologies (article, 2025-08-12)
Field: Materials Science — Materials Chemistry

Diamond 2D/3D Printing Technology: Bringing Scintillating Performance to Functional Materials and Their Applications Abstract Diamond's unique combination of hardness, high thermal conductivity, chemical inertness, and biocompatibility makes it a highly attractive material for next‐generation technologies. However, its integration into functional devices has long been limited by the difficulties of processing bulk diamond. Recent advances in additive manufacturing have enabled the use of diamond in nano‐ and microparticulate forms, significantly expanding its accessibility and versatility. This review presents the state‐of‐the‐art in printing with diamond particles using inkjet, screen, microcontact, and 3D printing techniques, which offer enhanced design freedom, compatibility with diverse substrates, and streamlined prototyping workflows. Particular emphasis is placed on how particle properties, together with ink, resin, filament, or powder formulation, influence print quality and final performance. The reviewed applications span microfabricated structures, various sensing, and thermal management devices, wear‐resistant tools, and biomedical interfaces. Key technical challenges, including particle dispersion, interfacial bonding, and equipment wear, are addressed alongside emerging strategies such as surface functionalization, AI‐assisted process optimization, and multimaterial integration. By bridging materials science and device engineering, printed diamond technologies offer a scalable and flexible route to high‐performance, multifunctional components. This review serves as a resource for researchers aiming to integrate diamond into advanced printed material platforms. Diamond ; Materials science ; Nanotechnology ; 3D printing ; Optoelectronics ; Engineering physics ; Engineering ; Composite material Diamond and Carbon-based Materials Research ; Laser-Ablation Synthesis of Nanoparticles