jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Dongxiao Li | Anurag Yadav | Hong Zhou | Kaustav Roy | Pounraj Thanasekaran | Chengkuo Lee
Source: Global Challenges (review, 2023-12-30)
Field: Chemistry — Inorganic Chemistry

Advances and Applications of Metal‐Organic Frameworks (MOFs) in Emerging Technologies: A Comprehensive Review Metal-organic frameworks (MOFs) that are the wonder material of the 21st century consist of metal ions/clusters coordinated to organic ligands to form one- or more-dimensional porous structures with unprecedented chemical and structural tunability, exceptional thermal stability, ultrahigh porosity, and a large surface area, making them an ideal candidate for numerous potential applications. In this work, the recent progress in the design and synthetic approaches of MOFs and explore their potential applications in the fields of gas storage and separation, catalysis, magnetism, drug delivery, chemical/biosensing, supercapacitors, rechargeable batteries and self-powered wearable sensors based on piezoelectric and triboelectric nanogenerators are summarized. Lastly, this work identifies present challenges and outlines future opportunities in this field, which can provide valuable references. Nanotechnology ; Metal-organic framework ; Supercapacitor ; Materials science ; Triboelectric effect ; Chemistry ; Electrode Metal-Organic Frameworks: Synthesis and Applications ; MXene and MAX Phase Materials ; Gas Sensing Nanomaterials and Sensors
Authors: Siyang Lin | Yuqi Tang | W.P. Kang | Hari Krishna Bisoyi | Jinbao Guo | Quan Li
Source: Nature Communications (article, 2023-05-25)
Field: Chemistry — Organic Chemistry

Photo-triggered full-color circularly polarized luminescence based on photonic capsules for multilevel information encryption Materials with phototunable full-color circularly polarized luminescence (CPL) have a large storage density, high-security level, and enormous prospects in the field of information encryption and decryption. In this work, device-friendly solid films with color tunability are prepared by constructing Förster resonance energy transfer (FRET) platforms with chiral donors and achiral molecular switches in liquid crystal photonic capsules (LCPCs). These LCPCs exhibit photoswitchable CPL from initial blue emission to RGB trichromatic signals under UV irradiation due to the synergistic effect of energy and chirality transfer and show strong time dependence because of the different FRET efficiencies at each time node. Based on these phototunable CPL and time response characteristics, the concept of multilevel data encryption by using LCPC films is demonstrated. Luminescence ; Förster resonance energy transfer ; RGB color model ; Encryption ; Materials science ; Photonics ; Optoelectronics ; Structural coloration ; Chirality (physics) ; Optics ; Photonic crystal ; Computer science ; Fluorescence ; Physics Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials ; Liquid Crystal Research Advancements
Authors: Zhen Chen | Yixin Yu | Yonghui Gao | Zhiling Zhu
Source: ACS Nano (review, 2023-07-03)
Field: Materials Science — Materials Chemistry

Rational Design Strategies for Nanozymes Nanozymes constitute an emerging class of nanomaterials with enzyme-like characteristics. Over the past 15 years, more than 1200 nanozymes have been developed, and they have demonstrated promising potentials in broad applications. With the diversification and complexity of its applications, traditional empirical and trial-and-error design strategies no longer meet the requirements for efficient nanozyme design. Thanks to the rapid development of computational chemistry and artificial intelligence technologies, first-principles methods and machine-learning algorithms are gradually being adopted as a more efficient and easier means to assist nanozyme design. This review focuses on the potential elementary reaction mechanisms in the rational design of nanozymes, including peroxidase (POD)-, oxidase (OXD)-, catalase (CAT)-, superoxide dismutase (SOD)-, and hydrolase (HYL)-like nanozymes. The activity descriptors are introduced, with the aim of providing further guidelines for nanozyme active material screening. The computing- and data-driven approaches are thoroughly reviewed to give a proposal on how to proceed with the next-generation paradigm rational design. At the end of this review, personal perspectives on the prospects and challenges of the rational design of nanozymes are put forward, hoping to promote the further development of nanozymes toward superior application performance in the future. Rational design ; Computer science ; Nanotechnology ; Biochemical engineering ; Diversification (marketing strategy) ; Engineering ; Materials science ; Business Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications ; Nanoparticles: synthesis and applications
Authors: Debanjan Chakraborty | Aysu Yurduşen | Georges Mouchaham | Farid Nouar | Christian Serre
Source: Advanced Functional Materials (article, 2023-11-12)
Field: Chemistry — Inorganic Chemistry

Large‐Scale Production of Metal–Organic Frameworks Abstract Metal–organic frameworks (MOFs) show captivating performances in many large‐scale applications including gas adsorption and separation, heat reallocation, water production, or remediation which can overcome important drawbacks of the conventionally used porous materials in the industry. This raises, therefore, the commercial interest in MOFs which brings the necessity to decrease the cost of their production, calling for the synthesis optimization from small‐scale to large‐scale. However, the commercial availability, yet very limited, is highly dependent on their production cost. Thus, to promote the commercial development and availability of MOFs, many steps can be taken. In this work, the state‐of‐art of the large‐scale production of MOFs can be first outlined, before discussing the criteria of greener MOF synthesis processes. Besides, a critical evaluation of the available synthesis routes for large‐scale production can be given, taking into consideration their cost, environmental impact, safety, and feasibility. Moreover, since there are strong limitations to the use in the powder form, the shaping procedures can thus be discussed briefly to outline the prospects of MOFs for different industrial applications. Finally, yet importantly, the perspective for MOFs commercialization can be highlighted with an emphasis on the necessity of techno‐economic analyses and life‐cycle assessments. Commercialization ; Production (economics) ; Scale (ratio) ; Metal-organic framework ; Biochemical engineering ; Nanotechnology ; Materials science ; Process engineering ; Computer science ; Risk analysis (engineering) ; Business ; Adsorption ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport ; Covalent Organic Framework Applications
Authors: Charitha Thambiliyagodage | Madara Jayanetti | Amavin Mendis | Geethma Ekanayake | Heshan Liyanaarachchi | Saravanamuthu Vigneswaran
Source: Materials (review, 2023-03-03)
Field: Materials Science — Biomaterials

Recent Advances in Chitosan-Based Applications—A Review Chitosan derived from chitin gas gathered much interest as a biopolymer due to its known and possible broad applications. Chitin is a nitrogen-enriched polymer abundantly present in the exoskeletons of arthropods, cell walls of fungi, green algae, and microorganisms, radulae and beaks of molluscs and cephalopods, etc. Chitosan is a promising candidate for a wide variety of applications due to its macromolecular structure and its unique biological and physiological properties, including solubility, biocompatibility, biodegradability, and reactivity. Chitosan and its derivatives have been known to be applicable in medicine, pharmaceuticals, food, cosmetics, agriculture, the textile and paper industries, the energy industry, and industrial sustainability. More specifically, their use in drug delivery, dentistry, ophthalmology, wound dressing, cell encapsulation, bioimaging, tissue engineering, food packaging, gelling and coating, food additives and preservatives, active biopolymeric nanofilms, nutraceuticals, skin and hair care, preventing abiotic stress in flora, increasing water availability in plants, controlled release fertilizers, dye-sensitised solar cells, wastewater and sludge treatment, and metal extraction. The merits and demerits associated with the use of chitosan derivatives in the above applications are elucidated, and finally, the key challenges and future perspectives are discussed in detail. Chitosan ; Biopolymer ; Chitin ; Nutraceutical ; Cosmetics ; Biocompatibility ; Drug delivery ; Nanotechnology ; Materials science ; Biodegradation ; Biotechnology ; Chemistry ; Pulp and paper industry ; Polymer ; Food science ; Organic chemistry ; Biology ; Composite material ; Engineering Nanocomposite Films for Food Packaging ; Advanced Drug Delivery Systems ; Nanoparticles: synthesis and applications
Authors: Abdul Haleem | Anum Shafiq | Shengqi Chen | Mudasir Nazar
Source: Molecules (review, 2023-01-21)
Field: Chemistry — Organic Chemistry

A Comprehensive Review on Adsorption, Photocatalytic and Chemical Degradation of Dyes and Nitro-Compounds over Different Kinds of Porous and Composite Materials Dye and nitro-compound pollution has become a significant issue worldwide. The adsorption and degradation of dyes and nitro-compounds have recently become important areas of study. Different methods, such as precipitation, flocculation, ultra-filtration, ion exchange, coagulation, and electro-catalytic degradation have been adopted for the adsorption and degradation of these organic pollutants. Apart from these methods, adsorption, photocatalytic degradation, and chemical degradation are considered the most economical and efficient to control water pollution from dyes and nitro-compounds. In this review, different kinds of dyes and nitro-compounds, and their adverse effects on aquatic organisms and human beings, were summarized in depth. This review article covers the comprehensive analysis of the adsorption of dyes over different materials (porous polymer, carbon-based materials, clay-based materials, layer double hydroxides, metal-organic frameworks, and biosorbents). The mechanism and kinetics of dye adsorption were the central parts of this study. The structures of all the materials mentioned above were discussed, along with their main functional groups responsible for dye adsorption. Removal and degradation methods, such as adsorption, photocatalytic degradation, and chemical degradation of dyes and nitro-compounds were also the main aim of this review article, as well as the materials used for such degradation. The mechanisms of photocatalytic and chemical degradation were also explained comprehensively. Different factors responsible for adsorption, photocatalytic degradation, and chemical degradation were also highlighted. Advantages and disadvantages, as well as economic cost, were also discussed briefly. This review will be beneficial for the reader as it covers all aspects of dye adsorption and the degradation of dyes and nitro-compounds. Future aspects and shortcomings were also part of this review article. There are several review articles on all these topics, but such a comprehensive study has not been performed so far in the literature. Adsorption ; Degradation (telecommunications) ; Photocatalysis ; Chemistry ; Chemical engineering ; Environmental pollution ; Nitro ; Materials science ; Catalysis ; Organic chemistry ; Environmental science Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal ; Advanced Photocatalysis Techniques
Authors: Adarsh Kumar | Ankit Kumar Singh | Harshwardhan Singh | Veena Vijayan | Deepak Kumar | Jashwanth Naik | Suresh Thareja | Jagat Pal Yadav | Prateek Pathak | Maria Grishina | Amita Verma | Habibullah Khalilullah | Mariusz Jaremko | Abdul‐Hamid Emwas | Pradeep Kumar
Source: Pharmaceuticals (review, 2023-02-14)
Field: Chemistry — Organic Chemistry

Nitrogen Containing Heterocycles as Anticancer Agents: A Medicinal Chemistry Perspective Cancer is one of the major healthcare challenges across the globe. Several anticancer drugs are available on the market but they either lack specificity or have poor safety, severe side effects, and suffer from resistance. So, there is a dire need to develop safer and target-specific anticancer drugs. More than 85% of all physiologically active pharmaceuticals are heterocycles or contain at least one heteroatom. Nitrogen heterocycles constituting the most common heterocyclic framework. In this study, we have compiled the FDA approved heterocyclic drugs with nitrogen atoms and their pharmacological properties. Moreover, we have reported nitrogen containing heterocycles, including pyrimidine, quinolone, carbazole, pyridine, imidazole, benzimidazole, triazole, β-lactam, indole, pyrazole, quinazoline, quinoxaline, isatin, pyrrolo-benzodiazepines, and pyrido[2,3-d]pyrimidines, which are used in the treatment of different types of cancer, concurrently covering the biochemical mechanisms of action and cellular targets. Chemistry ; Isatin ; Benzimidazole ; Combinatorial chemistry ; Quinoxaline ; Quinazoline ; Indole test ; Pharmacology ; Pyrazole ; Pyridine ; Pyrimidine ; Stereochemistry ; Medicine ; Medicinal chemistry ; Organic chemistry Synthesis and biological activity ; Synthesis of β-Lactam Compounds ; Synthesis and Biological Evaluation
Authors: Min‐Soo Kim | Jae‐Kyung Heo | Hugo Rodrigue | Hyun‐Taek Lee | Salvador Pané | Min‐Woo Han | Sung‐Hoon Ahn
Source: Advanced Materials (review, 2023-04-19)
Field: Materials Science — Materials Chemistry

Shape Memory Alloy (SMA) Actuators: The Role of Material, Form, and Scaling Effects Shape memory alloys (SMAs) are smart materials that are widely used to create intelligent devices because of their high energy density, actuation strain, and biocompatibility characteristics. Given their unique properties, SMAs are found to have significant potential for implementation in many emerging applications in mobile robots, robotic hands, wearable devices, aerospace/automotive components, and biomedical devices. Here, the state-of-the-art of thermal and magnetic SMA actuators in terms of their constituent materials, form, and scaling effects are summarized, including their surface treatments and functionalities. The motion performance of various SMA architectures (wires, springs, smart soft composites, and knitted/woven actuators) is also analyzed. Based on the assessment, current challenges of SMAs that need to be addressed for their practical application are emphasized. Finally, how to advance SMAs by synergistically considering the effects of material, form, and scale is suggested. Shape-memory alloy ; SMA* ; Materials science ; Scaling ; Actuator ; Alloy ; Composite material ; Nanotechnology ; Geometry ; Computer science Shape Memory Alloy Transformations ; Advanced Memory and Neural Computing
Authors: Dylan M. Anstine | Olexandr Isayev
Source: Journal of the American Chemical Society (review, 2023-04-13)
Field: Materials Science — Materials Chemistry

Generative Models as an Emerging Paradigm in the Chemical Sciences Traditional computational approaches to design chemical species are limited by the need to compute properties for a vast number of candidates, e.g., by discriminative modeling. Therefore, inverse design methods aim to start from the desired property and optimize a corresponding chemical structure. From a machine learning viewpoint, the inverse design problem can be addressed through so-called generative modeling. Mathematically, discriminative models are defined by learning the probability distribution function of properties given the molecular or material structure. In contrast, a generative model seeks to exploit the joint probability of a chemical species with target characteristics. The overarching idea of generative modeling is to implement a system that produces novel compounds that are expected to have a desired set of chemical features, effectively sidestepping issues found in the forward design process. In this contribution, we overview and critically analyze popular generative algorithms like generative adversarial networks, variational autoencoders, flow, and diffusion models. We highlight key differences between each of the models, provide insights into recent success stories, and discuss outstanding challenges for realizing generative modeling discovered solutions in chemical applications. Generative grammar ; Generative Design ; Discriminative model ; Computer science ; Generative model ; Artificial intelligence ; Machine learning ; Process (computing) ; Property (philosophy) ; Key (lock) ; Function (biology) ; Exploit ; Engineering Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Paulina Szczyglewska | Agnieszka Feliczak‐Guzik | Izabela Nowak
Source: Molecules (review, 2023-06-22)
Field: Materials Science — Materials Chemistry

Nanotechnology–General Aspects: A Chemical Reduction Approach to the Synthesis of Nanoparticles The role of nanotechnology is increasingly important in our society. Through it, scientists are acquiring the ability to understand the structure and properties of materials and manipulate them at the scale of atoms and molecules. Nanomaterials are at the forefront of the rapidly growing field of nanotechnology. The synthesis of nanostructured materials, especially metallic nanoparticles, has attracted tremendous interest over the past decade due to their unique properties, making these materials excellent and indispensable in many areas of human activity. These special properties can be attributed to the small size and large specific surface area of nanoparticles, which are very different from those of bulk materials. Nanoparticles of different sizes and shapes are needed for many applications, so a variety of protocols are required to produce monodisperse nanoparticles with controlled morphology. The purpose of this review is firstly to introduce the reader to the basic aspects related to the field of nanotechnology and, secondly, to discuss metallic nanoparticles in greater detail. This article explains the basic concepts of nanotechnology, introduces methods for synthesizing nanoparticles, and describes their types, properties, and possible applications. Of many methods proposed for the synthesis of metal nanoparticles, a chemical reduction is usually preferred because it is easy to perform, cost-effective, efficient, and also allows control of the structural parameters through optimization of the synthesis conditions. Therefore, a chemical reduction method is discussed in more detail-each factor needed for the synthesis of nanoparticles by chemical reduction is described in detail, i.e., metal precursors, solvents, reducing agents, and stabilizers. The methods that are used to characterize nanomaterials are described. Finally, based on the available literature collection, it is shown how changing the synthesis parameters/methods affects the final characteristics of nanoparticles. Nanotechnology ; Nanoparticle ; Nanomaterials ; Applications of nanotechnology ; Materials science ; Dispersity ; Computer science Nanoparticles: synthesis and applications ; Laser-Ablation Synthesis of Nanoparticles ; Nanotechnology research and applications
Authors: Hosam M. Saleh | Amal I. Hassan
Source: Sustainability (article, 2023-07-11)
Field: Materials Science — Polymers and Plastics

Synthesis and Characterization of Nanomaterials for Application in Cost-Effective Electrochemical Devices Nanomaterials have gained significant attention as a remarkable class of materials due to their unique properties and the fact that they encompass a wide range of samples with at least one dimension ranging from 1 to 100 nm. The deliberate design of nanoparticles enables the achievement of extremely large surface areas. In the field of cost-effective electrochemical devices for energy storage and conversion applications, nanomaterials have emerged as a key area of research. Their exceptional physical and chemical properties have led to extensive investigations aimed at improving the performance and cost-effectiveness of electrochemical devices, including batteries, supercapacitors, and fuel cells. The continuous development and enhancement of these high-performance materials are driven by the demand for enhanced productivity, connectivity, and sustainability at a reduced cost. This review focuses on the electrochemical performance of electrodes, energy storage, and electrochemical sensors (ES) based on nanotechnology. It discusses the application of nanotechnology in electrochemistry for water purification and the fate of substances in water, while also introducing green nanotechnology and cost-effective, high-fidelity product creation through electrochemical methods. The study emphasizes the synthesis of novel nanomaterials, such as metal–organic frameworks (MOFs), covalent organic frameworks (COFs), and MXenes, with applications in electrochemical devices. Furthermore, it explores the integration of nanostructures with electrochemical systems in economically significant and future applications, along with the challenges faced by nanotechnology-based industries. The paper also explores the interplay between nanomaterials and biosensors, which play a vital role in electrochemical devices. Overall, this review provides a comprehensive overview of the significance of nanomaterials in the development of cost-effective electrochemical devices for energy storage and conversion. It highlights the need for further research in this rapidly evolving field and serves as a valuable resource for researchers and engineers interested in the latest advancements in nanomaterials for electrochemical devices. Nanotechnology ; Nanomaterials ; Supercapacitor ; Electrochemical energy conversion ; Materials science ; Energy storage ; Electrochemistry ; Electrode ; Chemistry Conducting polymers and applications ; Supercapacitor Materials and Fabrication ; Advanced battery technologies research
Authors: Valery Muravev | Alexander Parastaev | Yannis van den Bosch | Bianca Ligt | Nathalie Claes | Sara Bals | Nikolay Kosinov | Emiel J. M. Hensen
Source: Science (article, 2023-06-15)
Field: Materials Science — Materials Chemistry

Size of cerium dioxide support nanocrystals dictates reactivity of highly dispersed palladium catalysts The catalytic performance of heterogeneous catalysts can be tuned by modulation of the size and structure of supported transition metals, which are typically regarded as the active sites. In single-atom metal catalysts, the support itself can strongly affect the catalytic properties. Here, we demonstrate that the size of cerium dioxide (CeO<sub>2</sub>) support governs the reactivity of atomically dispersed palladium (Pd) in carbon monoxide (CO) oxidation. Catalysts with small CeO<sub>2</sub> nanocrystals (~4 nanometers) exhibit unusually high activity in a CO-rich reaction feed, whereas catalysts with medium-size CeO<sub>2</sub> (~8 nanometers) are preferred for lean conditions. Detailed spectroscopic investigations reveal support size-dependent redox properties of the Pd-CeO<sub>2</sub> interface. Catalysis ; Palladium ; Cerium ; Nanocrystal ; Cerium oxide ; Carbon monoxide ; Reactivity (psychology) ; Nanometre ; Oxygen storage ; Redox ; Transition metal ; Materials science ; Chemical engineering ; Inorganic chemistry ; Metal ; Chemistry ; Nanotechnology ; Organic chemistry ; Metallurgy Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Electrocatalysts for Energy Conversion