jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Denis V. Leybo | U.J. Etim | Matteo Monai | Simon R. Bare | Ziyi Zhong | Charlotte Vogt
Source: Chemical Society Reviews (review, 2024-01-01)
Field: Materials Science — Materials Chemistry

Metal–support interactions in metal oxide-supported atomic, cluster, and nanoparticle catalysis Supported metal catalysts are essential to a plethora of processes in the chemical industry. The overall performance of these catalysts depends strongly on the interaction of adsorbates at the atomic level, which can be manipulated and controlled by the different constituents of the active material (<i>i.e.</i>, support and active metal). The description of catalyst activity and the relationship between active constituent and the support, or metal-support interactions (MSI), in heterogeneous (thermo)catalysts is a complex phenomenon with multivariate (dependent and independent) contributions that are difficult to disentangle, both experimentally and theoretically. So-called "strong metal-support interactions" have been reported for several decades and summarized in excellent review articles. However, in recent years, there has been a proliferation of new findings related to atomically dispersed metal sites, metal oxide defects, and, for example, the generation and evolution of MSI under reaction conditions, which has led to the designation of (sub)classifications of MSI deserving to be critically and systematically evaluated. These include dynamic restructuring under alternating redox and reaction conditions, adsorbate-induced MSI, and evidence of strong interactions in oxide-supported metal oxide catalysts. Here, we review recent literature on MSI in oxide-supported metal particles to provide an up-to-date understanding of the underlying physicochemical principles that dominate the observed effects in supported metal atomic, cluster, and nanoparticle catalysts. Critical evaluation of different subclassifications of MSI is provided, along with discussions on the formation mechanisms, theoretical and characterization advances, and tuning strategies to manipulate catalytic reaction performance. We also provide a perspective on the future of the field, and we discuss the analysis of different MSI effects on catalysis quantitatively. Metal ; Cluster (spacecraft) ; Catalysis ; Nanoparticle ; Oxide ; Nanotechnology ; Chemistry ; Materials science ; Metallurgy ; Organic chemistry ; Computer science Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Nanomaterials for catalytic reactions
Authors: Ning Qu | Hanxu Sun | Yuyao Sun | Mukun He | Ruizhe Xing | Junwei Gu | Jie Kong
Source: Nature Communications (article, 2024-07-05)
Field: Materials Science — Electronic, Optical and Magnetic Materials

2D/2D coupled MOF/Fe composite metamaterials enable robust ultra–broadband microwave absorption The combination between macroscopic structure designs and microscopic material designs offers tremendous possibilities for the development of advanced electromagnetic wave (EMW) absorbers. Herein, we propose a metamaterial design to address persistent challenges in this field, including narrow bandwidth, low-frequency bottlenecks, and, particularly, the urgent issue of robustness (i.e., oblique, and polarized incidence). Our absorber features a semiconductive metal-organic framework/iron 2D/2D assembly (CuHT-FCIP) with abundant crystal/crystal heterojunctions and strong magneto-electric coupling networks. This design achieves remarkable EMW absorption across a broad range (2 to 40 GHz) at a thickness of just 9.3 mm. Notably, it maintains stable performance against oblique incidence (within 75°) and polarizations (both transverse electric and transverse magnetic). Furthermore, the absorber demonstrates high specific compressive strength (201.01 MPa·cm<sup>3</sup>·g<sup>-1</sup>) and low density (0.89 g·cm<sup>-3</sup>). This advancement holds promise for developing robust EMW absorbers with superior performance. Metamaterial ; Materials science ; Microwave ; Broadband ; Optoelectronics ; Transverse plane ; Absorption (acoustics) ; Electromagnetic radiation ; Composite number ; Optics ; Composite material ; Computer science ; Physics ; Telecommunications Electromagnetic wave absorption materials ; Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies
Authors: Hafsah Azfar Khan | Muhammad Tawalbeh | B. Aljawrneh | Waad H. Abuwatfa | Amani Al–Othman | Hasan Sadeghifar | A.G. Olabi
Source: Energy (review, 2024-03-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A comprehensive review on supercapacitors: Their promise to flexibility, high temperature, materials, design, and challenges Flexibility (engineering) ; Supercapacitor ; Nanotechnology ; Engineering ; Materials science ; Chemistry ; Economics ; Capacitance Supercapacitor Materials and Fabrication ; Advanced Sensor and Energy Harvesting Materials ; Advancements in Battery Materials
Authors: Yogesh A. Bhadange | Jitendra Carpenter | Virendra Kumar Saharan
Source: ACS Omega (review, 2024-07-08)
Field: Chemistry — Analytical Chemistry

A Comprehensive Review on Advanced Extraction Techniques for Retrieving Bioactive Components from Natural Sources The extraction of bioactive components from natural sources has gained significant attention in recent years due to increasing demand for natural and functional constituents in various industries, including pharmaceuticals, food, and cosmetics. This review paper aims to provide a comprehensive overview of the studies on extracting bioactive components from natural sources using different advanced extraction techniques. It highlights the need for efficient extraction methods to preserve these components' integrity and bioactivity. Various extraction techniques as supercritical-fluid extraction, microwave-assisted extraction, ultrasound-assisted extraction, subcritical solvent extraction, and solid-phase microextraction are explored in detail, highlighting their principles, advantages, and limitations. The review further examines the impact of different factors on the extraction process, including solvent selection, extraction time, temperature, ultrasonication-amplitude, etc. Additionally, emerging techniques, such as green extraction methods and nanotechnology-based approaches, are discussed, emphasizing their potential to enhance the extraction efficiency and sustainability of the process. Furthermore, the review presents case studies and experimental results from recent research articles, providing insights into applying different extraction techniques for specific bioactive components, such as phenolics, flavonoids, alkaloids, and essential oils. It discusses the extraction yield, bioactivity, and potential utilization of the extracted components in various industries. Overall, this review paper is valuable for researchers, scientists, and industry professionals interested in extracting bioactive components from natural sources. It consolidates the current knowledge on different advanced extraction techniques, their optimization parameters, and their potential applications, facilitating further advancements in the field and the development of innovative extraction methods for bioactive component extraction from natural sources. Extraction (chemistry) ; Natural (archaeology) ; Information retrieval ; Computer science ; Biochemical engineering ; Chemistry ; Chromatography ; Engineering ; Geography ; Archaeology Chromatography in Natural Products ; Analytical Chemistry and Chromatography ; Metabolomics and Mass Spectrometry Studies
Authors: S. Kabekkodu | Anja Došen | Thomas N. Blanton
Source: Powder Diffraction (article, 2024-04-15)
Field: Materials Science — Materials Chemistry

PDF-5+: a comprehensive Powder Diffraction File™ for materials characterization For more than 80 years, the scientific community has extensively used International Centre for Diffraction Data's (ICDD®) Powder Diffraction File (PDF®) for material characterization, including powder X-ray diffraction analysis. Historically, PDF was made available for two major material types: one for inorganic analysis and the other for organic analysis. In the early years of the PDF, this two-material approach was implemented due to limited computer capabilities. With Release 2024, ICDD provides a comprehensive database consisting of the entire PDF in one database called PDF-5+, comprised of more than one million entries (1,061,898). The PDF-5+ with a relational database (RDB) construct houses extensive chemical, physical, bibliographic, and crystallographic data, including atomic coordinates and raw data, enabling qualitative and quantitative phase analysis. This wealth of information in one database is advantageous for phase identification, materials characterization, and several data mining applications in materials science. A database of this size needs rigorous data curation and structural and chemical classifications to optimize pattern search/match and characterization methods. Each entry in the PDF has an editorially assigned quality mark. An editorial comment will describe the reason if an entry does not meet the top-quality mark. The editorial processes of ICDD's quality management system are unique in that they are ISO 9001:2015 certified. Among several classifications implemented in PDF-5+, subfiles (such as Bioactive, Pharmaceuticals, Minerals, etc.) directly impact the search/match in minimizing false positives. Scientists with specific field expertise continuously review these subfiles to maintain their quality. This paper describes the features of PDF with an emphasis on the newly released PDF-5+. Database ; Relational database ; Characterization (materials science) ; Computer science ; Powder diffraction ; Quality (philosophy) ; Data quality ; Certification ; Identification (biology) ; Information retrieval ; Data mining ; Materials science ; Chemistry ; Nanotechnology ; Engineering ; Crystallography ; Physics ; Operations management X-ray Diffraction in Crystallography ; Crystallography and molecular interactions ; Machine Learning in Materials Science
Authors: Ahmed I. Osman | Mahmoud Nasr | Abdelazeem S. Eltaweil | Mohamed Hosny | Mohamed Farghali | Ahmed S. Al‐Fatesh | David W. Rooney | Eman M. Abd El-Monaem
Source: International Journal of Hydrogen Energy (article, 2024-03-26)
Field: Materials Science — Materials Chemistry

Advances in hydrogen storage materials: harnessing innovative technology, from machine learning to computational chemistry, for energy storage solutions The demand for clean and sustainable energy solutions is escalating as the global population grows and economies develop. Fossil fuels, which currently dominate the energy sector, contribute to greenhouse gas emissions and environmental degradation. In response to these challenges, hydrogen storage technologies have emerged as a promising avenue for achieving energy sustainability. This review provides an overview of recent advancements in hydrogen storage materials and technologies, emphasizing the importance of efficient storage for maximizing hydrogen's potential. The review highlights physical storage methods such as compressed hydrogen (reaching pressures of up to 70 MPa) and material-based approaches utilizing metal hydrides and carbon-containing substances. It also explores design considerations, computational chemistry, high-throughput screening, and machine-learning techniques employed in developing efficient hydrogen storage materials. This comprehensive analysis showcases the potential of hydrogen storage in addressing energy demands, reducing greenhouse gas emissions, and driving clean energy innovation. Hydrogen storage ; Greenhouse gas ; Fossil fuel ; Sustainability ; Energy storage ; Carbon capture and storage (timeline) ; Energy carrier ; Process engineering ; Hydrogen fuel ; Hydrogen technologies ; Hydrogen economy ; Environmental science ; Hydrogen ; Computer science ; Nanotechnology ; Renewable energy ; Biochemical engineering ; Waste management ; Materials science ; Engineering ; Chemistry ; Climate change ; Physics ; Electrical engineering Hydrogen Storage and Materials ; Hybrid Renewable Energy Systems ; Ammonia Synthesis and Nitrogen Reduction
Authors: S.K. Burley | R K Bhatt | Charmi Bhikadiya | Chunxiao Bi | Alison Biester | Prabuddha Biswas | Sebastian Bittrich | Santiago Blaumann | Ronald Brown | Henry Chao | Vivek Reddy Chithari | P. Craig | G.V. Crichlow | José M. Duarte | Shuchismita Dutta | Zukang Feng | Justin W. Flatt | Sutapa Ghosh | David S. Goodsell | Rachel Kramer Green | Vladimir Guranović | Jeremy Henry | Brian P. Hudson | Mariya Joy | Jason T. Kaelber | Igor Khokhriakov | Jhih‐Siang Lai | Catherine L. Lawson | Yu‐He Liang | Douglas Myers-Turnbull | Ezra Peisach | Irina Persikova | Dennis W. Piehl | Aditya Pingale | Yana Rose | Jared Sagendorf | Andrej Săli | Joan Segura | Monica Sekharan | Chenghua Shao | James M. Smith | Michael Trumbull | Brinda Vallat | Maria Voigt | Ben Webb | Shamara Whetstone | Amy Wu-Wu | Tongji Xing | Jasmine Young | Arthur O. Zalevsky | Christine Zardecki
Source: Nucleic Acids Research (article, 2024-11-28)
Field: Materials Science — Materials Chemistry

Updated resources for exploring experimentally-determined PDB structures and Computed Structure Models at the RCSB Protein Data Bank The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB, RCSB.org), the US Worldwide Protein Data Bank (wwPDB, wwPDB.org) data center for the global PDB archive, provides access to the PDB data via its RCSB.org research-focused web portal. We report substantial additions to the tools and visualization features available at RCSB.org, which now delivers more than 227000 experimentally determined atomic-level three-dimensional (3D) biostructures stored in the global PDB archive alongside more than 1 million Computed Structure Models (CSMs) of proteins (including models for human, model organisms, select human pathogens, crop plants and organisms important for addressing climate change). In addition to providing support for 3D structure motif searches with user-provided coordinates, new features highlighted herein include query results organized by redundancy-reduced Groups and summary pages that facilitate exploration of groups of similar proteins. Newly released programmatic tools are also described, as are enhanced training opportunities. Protein Data Bank (RCSB PDB) ; Biology ; Protein Data Bank ; Computational biology ; Data bank ; Protein structure ; Bioinformatics ; Computer science ; Biochemistry Enzyme Structure and Function ; Protein Structure and Dynamics ; Advanced Proteomics Techniques and Applications
Authors: Jichuan Kong | Yihui Wei | Feng Zhou | Liting Shi | Shuangjie Zhao | Mengyun Wan | Xianfeng Zhang
Source: Molecules (article, 2024-04-26)
Field: Materials Science — Materials Chemistry

Carbon Quantum Dots: Properties, Preparation, and Applications Carbon quantum dots are a novel form of carbon material. They offer numerous benefits including particle size adjustability, light resistance, ease of functionalization, low toxicity, excellent biocompatibility, and high-water solubility, as well as their easy accessibility of raw materials. Carbon quantum dots have been widely used in various fields. The preparation methods employed are predominantly top-down methods such as arc discharge, laser ablation, electrochemical and chemical oxidation, as well as bottom-up methods such as templates, microwave, and hydrothermal techniques. This article provides an overview of the properties, preparation methods, raw materials for preparation, and the heteroatom doping of carbon quantum dots, and it summarizes the applications in related fields, such as optoelectronics, bioimaging, drug delivery, cancer therapy, sensors, and environmental remediation. Finally, currently encountered issues of carbon quantum dots are presented. The latest research progress in synthesis and application, as well as the challenges outlined in this review, can help and encourage future research on carbon quantum dots. Quantum dot ; Nanotechnology ; Materials science ; Carbon quantum dots ; Carbon fibers ; Biocompatibility ; Surface modification ; Nanomaterials ; Chemical engineering ; Composite number ; Metallurgy ; Composite material Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Graphene and Nanomaterials Applications
Authors: Xiaohan Ma | Yaxin Tian | Yang Ren | Haowei Wang | Latifa W. Allahou | Jinke Chang | Gareth Williams | Jonathan C. Knowles | Alessandro Poma
Source: Journal of Nanobiotechnology (review, 2024-11-15)
Field: Materials Science — Materials Chemistry

Nanotechnology in healthcare, and its safety and environmental risks Nanotechnology holds immense promise in revolutionising healthcare, offering unprecedented opportunities in diagnostics, drug delivery, cancer therapy, and combating infectious diseases. This review explores the multifaceted landscape of nanotechnology in healthcare while addressing the critical aspects of safety and environmental risks associated with its widespread application. Beginning with an introduction to the integration of nanotechnology in healthcare, we first delved into its categorisation and various materials employed, setting the stage for a comprehensive understanding of its potential. We then proceeded to elucidate the diverse healthcare applications of nanotechnology, spanning medical diagnostics, tissue engineering, targeted drug delivery, gene delivery, cancer therapy, and the development of antimicrobial agents. The discussion extended to the current situation surrounding the clinical translation and commercialisation of these cutting-edge technologies, focusing on the nanotechnology-based healthcare products that have been approved globally to date. We also discussed the safety considerations of nanomaterials, both in terms of human health and environmental impact. We presented the in vivo health risks associated with nanomaterial exposure, in relation with transport mechanisms, oxidative stress, and physical interactions. Moreover, we highlighted the environmental risks, acknowledging the potential implications on ecosystems and biodiversity. Lastly, we strived to offer insights into the current regulatory landscape governing nanotechnology in healthcare across different regions globally. By synthesising these diverse perspectives, we underscore the imperative of balancing innovation with safety and environmental stewardship, while charting a path forward for the responsible integration of nanotechnology in healthcare. Health care ; Applications of nanotechnology ; Nanotechnology ; Nanomedicine ; Risk analysis (engineering) ; Engineering ; Business ; Political science Nanoparticles: synthesis and applications ; Healthcare and Environmental Waste Management
Authors: Dana Cialla‐May | Alois Bonifacio | Thomas Bocklitz | Alexey V. Markin | Natalia E. Markina | Stefano Fornasaro | Aradhana Dwivedi | Tony Dib | Edoardo Farnesi | Chen Liu | Arna Ghosh | Jürgen Popp
Source: Chemical Society Reviews (review, 2024-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Biomedical SERS – the current state and future trends Surface enhanced Raman spectroscopy (SERS) is meeting the requirements in biomedical science being a highly sensitive and specific analytical tool. By employing portable Raman systems in combination with customized sample pre-treatment, point-of-care-testing (POCT) becomes feasible. Powerful SERS-active sensing surfaces with high stability and modification layers if required are available for testing and application in complex biological matrices such as body fluids, cells or tissues. This review summarizes the current state in sample collection and pretreatment in SERS detection protocols, SERS detection schemes, <i>i.e.</i> direct and indirect SERS as well as targeted and non-targeted SERS, and SERS-active sensing surfaces. Moreover, the recent developments and advances of SERS in biomedical application scenarios, such as infectious diseases, cancer diagnostics and therapeutic drug monitoring is given, which enables the readers to identify the sample collection and preparation protocols, SERS substrates and detection strategies that are best-suited for their specific applications in biomedicine. Point-of-care testing ; Nanotechnology ; Current (fluid) ; Raman spectroscopy ; Surface-enhanced Raman spectroscopy ; Computer science ; Point of care ; Materials science ; Sample (material) ; Chemistry ; Raman scattering ; Chromatography ; Engineering ; Physics ; Medicine ; Electrical engineering ; Optics ; Pathology Gold and Silver Nanoparticles Synthesis and Applications ; Spectroscopy Techniques in Biomedical and Chemical Research ; Biosensors and Analytical Detection
Authors: Shengbo Ge | Kexin Wei | Wanxi Peng | Runzhou Huang | Esther T. Akinlabi | Hongyan Xia | Muhammad Wakil Shahzad | Xuehua Zhang | Ben Bin Xu | Jianchun Jiang
Source: Chemical Society Reviews (review, 2024-01-01)
Field: Materials Science — Materials Chemistry

A comprehensive review of covalent organic frameworks (COFs) and their derivatives in environmental pollution control Covalent organic frameworks (COFs) have gained considerable attention due to their design possibilities as the molecular organic building blocks that can stack in an atomically precise spatial arrangement. Since the inception of COFs in 2005, there has been a continuous expansion in the product range of COFs and their derivatives. This expansion has led to the evolution of three-dimensional structures and various synthetic routes, propelling the field towards large-scale preparation of COFs and their derivatives. This review will offer a holistic analysis and comparison of the spatial structure and synthesis techniques of COFs and their derivatives. The conventional methods of COF synthesis (<i>i.e.</i>, ultrasonic chemical, microwave, and solvothermal) are discussed alongside the synthesis strategies of new COFs and their derivatives. Furthermore, the applications of COFs and their derived materials are demonstrated in air, water, and soil pollution management such as gas capture, catalytic conversion, adsorption, and pollutant removal. Finally, this review highlights the current challenges and prospects for large-scale preparation and application of new COFs and the derived materials. In line with the United Nations Sustainable Development Goals (SDGs) and the needs of digital-enabled technologies (AI and machine learning), this review will encompass the future technical trends for COFs in environmental pollution control. Stack (abstract data type) ; Covalent bond ; Environmental pollution ; Pollution ; Organic molecules ; Computer science ; Nanotechnology ; Environmental science ; Chemistry ; Biochemical engineering ; Materials science ; Engineering ; Environmental protection ; Molecule ; Organic chemistry Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Luminescence and Fluorescent Materials