jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Teboho Clement Mokhena | Mandla B. Chabalala | Sivuyisiwe Mapukata | Asanda Mtibe | Lerato Hlekelele | Zamani E. D. Cele | Mokgaotsa Jonas Mochane | Bulelwa Ntsendwana | T.A. Nhlapo | Teboho P. Mokoena | Mokae Fanuel Bambo | Kgabo Phillemon Matabola | Suprakas Sinha Ray | Emmanuel Rotimi Sadiku | Katekani Shingange
Source: Macromolecular Materials and Engineering (article, 2024-03-13)
Field: Materials Science — Biomaterials

Electrospun PCL‐Based Materials for Health‐Care Applications: An Overview Abstract Polycaprolactone (PCL) is one of the durable polymers with potential in a plethora of healthcare applications. Its biological properties, degradability, chemical properties, and mechanical properties can further be modified to manufacture desired products for modern biomedical applications. Electrospinning of PCL offers the opportunity to design treatment materials that resemble human tissues and facilitate regeneration at the target site. The resultant materials can also be modified by loading other active functional materials to broaden their applications. Herein, the recent advances in the preparation and modification of PCL‐based materials for healthcare applications are elucidated. The challenges and future trends for its application in modern biomedical applications are also outlined. Polycaprolactone ; Materials science ; Electrospinning ; Nanotechnology ; Human health ; Biocompatible material ; Polymer ; Biomedical engineering ; Composite material ; Engineering Electrospun Nanofibers in Biomedical Applications ; biodegradable polymer synthesis and properties ; Advanced Sensor and Energy Harvesting Materials
Authors: Jungwook Choi | Byung Hyo Kim
Source: Nanomaterials (review, 2024-10-21)
Field: Materials Science — Materials Chemistry

Ligands of Nanoparticles and Their Influence on the Morphologies of Nanoparticle-Based Films Nanoparticle-based thin films are increasingly being used in various applications. One of the key factors that determines the properties and performances of these films is the type of ligands attached to the nanoparticle surfaces. While long-chain surfactants, such as oleic acid, are commonly employed to stabilize nanoparticles and ensure high monodispersity, these ligands often hinder charge transport due to their insulating nature. Although thermal annealing can remove the long-chain ligands, the removal process often introduces defects such as cracks and voids. In contrast, the use of short-chain organic or inorganic ligands can minimize interparticle distance, improving film conductivity, though challenges such as incomplete ligand exchange and residual barriers remain. Polymeric ligands, especially block copolymers, can also be employed to create films with tailored porosity. This review discusses the effects of various ligand types on the morphology and performance of nanoparticle-based films, highlighting the trade-offs between conductivity, structural integrity, and functionality. Nanoparticle ; Materials science ; Nanotechnology ; Annealing (glass) ; Porosity ; Ligand (biochemistry) ; Thin film ; Chemical engineering ; Chemistry ; Composite material Block Copolymer Self-Assembly ; Advanced Polymer Synthesis and Characterization ; Conducting polymers and applications
Authors: Shu‐Jin Bao | Yan Zou | Haining Zhang | Guo‐Xin Jin
Source: Proceedings of the National Academy of Sciences (article, 2024-06-28)
Field: Chemistry — Organic Chemistry

The codriven assembly of molecular metalla-links (613, 623) and metalla-knots (41, 31) via coordination and noncovalent interactions Although mechanically interlocked molecules (MIMs) display unique properties and functions associated with their intricate connectivity, limited assembly strategies are available for their synthesis. Herein, we presented a synergistic assembly strategy based on coordination and noncovalent interactions (π-π stacking and CH⋯π interactions) to selectively synthesize molecular closed three-link chains ([Formula: see text] links), highly entangled figure-eight knots ([Formula: see text] knots), trefoil knot ([Formula: see text] knot), and Borromean ring ([Formula: see text] link). [Formula: see text] links can be created by the strategic assembly of nonlinear multicurved ligands incorporating a furan or phenyl group with the long binuclear half-sandwich organometallic Cp*Rh<sup>III</sup> (Cp* = <i>η</i><sup>5</sup>-pentamethylcyclopentadienyl) clip. However, utilizing much shorter binuclear Cp*Rh<sup>III</sup> units for union with the 2,6-naphthyl-containing ligand led to a [Formula: see text] knot because of the increased π-π stacking interactions between four consecutive stacked layers and CH⋯π interactions. Weakening such π-π stacking interactions resulted in a [Formula: see text] knot. The universality of this synergistic assembly strategy for building [Formula: see text] knots was verified by utilizing a 1,5-naphthyl-containing ligand. Quantitative conversion between the [Formula: see text] knot and the simple macrocycle species was accomplished by adjusting the concentrations monitored by NMR spectroscopy and electrospray ionization mass spectrometry (ESI-MS). Furthermore, increasing the stiff π-conjugated area of the binuclear unit afforded molecular Borromean ring, and this topology is a topological isomer of the [Formula: see text] link. These artificial metalla-links and metalla-knots were confirmed by single-crystal X-ray diffraction, NMR and ESI-MS. The results offer a potent strategy for building higher-order MIMs and emphasize the critical role that noncovalent interactions play in creating sophisticated topologies. Algorithm ; Computer science ; Artificial intelligence Supramolecular Chemistry and Complexes ; Supramolecular Self-Assembly in Materials ; Crystallography and molecular interactions
Authors: Wenqi Guo | Xueru Song | Jiaqi Liu | Wanyi Liu | Xiaoyuan Chu | Zengjie Lei
Source: Nanomaterials (review, 2024-06-25)
Field: Materials Science — Materials Chemistry

Quantum Dots as a Potential Multifunctional Material for the Enhancement of Clinical Diagnosis Strategies and Cancer Treatments Quantum dots (QDs) represent a class of nanoscale wide bandgap semiconductors, and are primarily composed of metals, lipids, or polymers. Their unique electronic and optical properties, which stem from their wide bandgap characteristics, offer significant advantages for early cancer detection and treatment. Metal QDs have already demonstrated therapeutic potential in early tumor imaging and therapy. However, biological toxicity has led to the development of various non-functionalized QDs, such as carbon QDs (CQDs), graphene QDs (GQDs), black phosphorus QDs (BPQDs) and perovskite quantum dots (PQDs). To meet the diverse needs of clinical cancer treatment, functionalized QDs with an array of modifications (lipid, protein, organic, and inorganic) have been further developed. These advancements combine the unique material properties of QDs with the targeted capabilities of biological therapy to effectively kill tumors through photodynamic therapy, chemotherapy, immunotherapy, and other means. In addition to tumor-specific therapy, the fluorescence quantum yield of QDs has gradually increased with technological progress, enabling their significant application in both in vivo and in vitro imaging. This review delves into the role of QDs in the development and improvement of clinical cancer treatments, emphasizing their wide bandgap semiconductor properties. Quantum dot ; Nanotechnology ; Materials science ; Photodynamic therapy ; Cancer ; Graphene ; Band gap ; Semiconductor ; Optoelectronics ; Medicine ; Chemistry ; Internal medicine Carbon and Quantum Dots Applications ; Advanced biosensing and bioanalysis techniques ; Nanocluster Synthesis and Applications
Authors: Fernando Galembeck | Leandra P. Santos | Thiago A. L. Burgo | André Galembeck
Source: Chemical Society Reviews (review, 2024-01-01)
Field: Chemistry — Electrochemistry

The emerging chemistry of self-electrified water interfaces Water is known for dissipating electrostatic charges, but it is also a universal agent of matter electrification, creating charged domains in any material contacting or containing it. This new role of water was discovered during the current century. It is proven in a fast-growing number of publications reporting direct experimental measurements of excess charge and electric potential. It is indirectly verified by its success in explaining surprising phenomena in chemical synthesis, electric power generation, metastability, and phase transition kinetics. Additionally, electrification by water is opening the way for developing green technologies that are fully compatible with the environment and have great potential to contribute to sustainability. Electrification by water shows that polyphasic matter is a charge mosaic, converging with the Maxwell-Wagner-Sillars effect, which was discovered one century ago but is still often ignored. Electrified sites in a real system are niches showing various local electrochemical potentials for the charged species. Thus, the electrified mosaics display variable chemical reactivity and mass transfer patterns. Water contributes to interfacial electrification from its singular structural, electric, mixing, adsorption, and absorption properties. A long list of previously unexpected consequences of interfacial electrification includes: "on-water" reactions of chemicals dispersed in water that defy current chemical wisdom; reactions in electrified water microdroplets that do not occur in bulk water, transforming the droplets in microreactors; and lowered surface tension of water, modifying wetting, spreading, adhesion, cohesion, and other properties of matter. Asymmetric capacitors charged by moisture and water are now promising alternative equipment for simultaneously producing electric power and green hydrogen, requiring only ambient thermal energy. Changing surface tension by interfacial electrification also modifies phase-change kinetics, eliminating metastability that is the root of catastrophic electric discharges and destructive explosions. It also changes crystal habits, producing needles and dendrites that shorten battery life. These recent findings derive from a single factor, water's ability to electrify matter, touching on the most relevant aspects of chemistry. They create tremendous scientific opportunities to understand the matter better, and a new chemistry based on electrified interfaces is now emerging. Electricity ; Chemistry ; Mosaic ; Nanotechnology ; Materials science ; Engineering ; Electrical engineering Electrochemical Analysis and Applications ; Photoreceptor and optogenetics research ; Gas Sensing Nanomaterials and Sensors
Authors: Joseph F. Olorunyomi | Brendan Dyett | Billy J. Murdoch | Al Jumlat Ahmed | Gary Rosengarten | Rachel A. Caruso | Cara M. Doherty | Xavier Mulet
Source: Advanced Functional Materials (article, 2024-04-12)
Field: Chemistry — Inorganic Chemistry

Simultaneous Enhancement of Electrical Conductivity and Porosity of a Metal–Organic Framework Toward Thermoelectric Applications Abstract Metal–organic frameworks (MOFs) exhibit large surface areas and low thermal conductivity, making them promising for thermoelectric generation. However, their limited electrical conductivity poses a significant hurdle to be practically useful. Traditionally, enhancing the electrical conductivity of MOFs typically comes at the cost of reducing surface area, thereby increasing thermal conductivity. This study introduces an approach to simultaneously boost the electrical conductivity and porosity of a MOF‐based material while maintaining remarkably low thermal conductivity. The electrically conductive poly(3,4‐ethylenedioxythiophene)‐poly(styrenesulfonate) (PEDOT:PSS) is deployed to nucleate the growth of Cu 3 (BTC) 2 (or simply CuBTC, where BTC = benzene‐1,3,5‐tricarboxylic acid), resulting in the synthesis of composites labeled CPP‐ y (where y denotes wt% PEDOT:PSS). Predictably, the CPP‐ y composites are more electrically conductive than pure CuBTC, achieving an electrical conductivity exceeding 1.40 S cm −1 at room temperature. Furthermore, the CPP‐ y composites exhibit consistently high Brunauer–Emmett–Teller (BET) surface areas of ≈1600 m 2 g −1 , comparable to pristine CuBTC, while maintaining thermal conductivities below 0.04 W m −1 K −1 at room temperature. With a high Seebeck coefficient in the range 180–373 µV K −1 , CPP‐15 and CPP‐23 demonstrate a figure‐of‐merit ( zT ) of 0.25 and 0.11, respectively, at 285 K, marking a substantial achievement for MOF‐based materials. Materials science ; Seebeck coefficient ; Thermoelectric effect ; Electrical resistivity and conductivity ; Thermal conductivity ; Thermoelectric materials ; PEDOT:PSS ; Porosity ; Electrical conductor ; Conductivity ; Figure of merit ; Composite material ; Specific surface area ; Chemical engineering ; Optoelectronics ; Polymer ; Electrical engineering ; Organic chemistry ; Thermodynamics ; Physical chemistry Metal-Organic Frameworks: Synthesis and Applications ; Thermal properties of materials ; Advanced Thermoelectric Materials and Devices
Authors: Giada D’Altri | Lamyea Yeasmin | Valentina Di Matteo | Stefano Scurti | Angelica Giovagnoli | Maria Francesca Di Filippo | Isacco Gualandi | Maria Cristina Cassani | Daniele Caretti | Silvia Panzavolta | Erika Scavetta | M. Rea | Barbara Ballarin
Source: ACS Omega (article, 2024-01-31)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Preparation and Characterization of Self-Healing PVA–H<sub>2</sub>SO<sub>4</sub> Hydrogel for Flexible Energy Storage In the past decade, hydrogels have attracted growing interest for emerging applications in flexible electronic devices, human-machine interactions, energy supply, or energy storage. Developing a multifunctional gel architecture with superior ionic conductivity and good mechanical flexibility is a bottleneck to overcome. Herein, poly(vinyl alcohol)/sulfuric acid (PVA-H<sub>2</sub>SO<sub>4</sub>) hydrogels were prepared via a freeze-thaw method. With the aim of tuning the formulation in view of a possible application in energy storage, the effects of different combinations in terms of the molecular weight (MW) of PVA and PVA-H<sub>2</sub>SO<sub>4</sub> weight ratio were investigated. Moreover, exploiting the self-healing properties of these hydrogels and the easy possibility of functionalizing them, i.e., introducing a conducting polymer such as poly(2-acrylamido-2-methyl-1-propane) sulfonic acid doped polyaniline (PANI_PAMPSA), a sandwiched all-in-one double-layer hydrogel (electrode/electrolyte configuration) was prepared (PVA-H<sub>2</sub>SO<sub>4</sub>-PANI_PAMPSA/PVA-H<sub>2</sub>SO<sub>4</sub>). Results showed that the water content is independent of the PVA amount and MW; the polymer concentration has a significant effect on the formation of crystalline domains and therefore on swelling degree, whereas the cross-linking degree depends on the MW. The PVA MW has the maximum effect on the swelling percentage normalized with respect to the polymer fraction and the tensile properties of the hydrogel. The assembled all-in-one electrode/electrolyte shows promising ionic conductivity (439.7 mS cm<sup>-1</sup>) and specific capacitance performance (0.297 mF cm<sup>-2</sup> at a current density of 0.025 mA cm<sup>-2</sup>), as well as excellent flexibility and considerable self-healing properties. These results will promote the development of self-healing symmetrical supercapacitors for storage devices in wearable electronics. Vinyl alcohol ; Self-healing hydrogels ; Materials science ; Swelling ; Electrolyte ; Chemical engineering ; Sulfonic acid ; Polyaniline ; Energy storage ; Polymer ; Conductivity ; Supercapacitor ; Ionic conductivity ; Sulfuric acid ; Polymer chemistry ; Electrode ; Capacitance ; Composite material ; Chemistry ; Polymerization Supercapacitor Materials and Fabrication ; Advanced Sensor and Energy Harvesting Materials ; Conducting polymers and applications
Authors: Yue‐Yang Liu | Tian Dong | Xu Qin | Weijia Luo | Ning Leng | Yujing He | Yong Qiang Yuan | Ming Bai | Jingbo Sun | Ji Zhou | Yue Li | Yang Li
Source: eLight (article, 2024-02-05)
Field: Materials Science — Electronic, Optical and Magnetic Materials

High-permittivity ceramics enabled highly homogeneous zero-index metamaterials for high-directivity antennas and beyond Abstract Zero-index metamaterials (ZIMs) can support uniform electromagnetic field distributions at any frequency, but their applications are hampered by the ZIM’s homogenization level—only 3 unit cells per free-space wavelength, which is fundamentally limited by the low-permittivity inclusions ( ε r ≈ 12) and background matrix ( ε r ≈ 1). Here, by filling high-permittivity SrTiO 3 ceramic ( ε r ≈ 294) pillars in BaTiO 3 ( ε r ≈ 25) background matrix, we demonstrate a highly homogeneous microwave ZIM with an over threefold increase in the homogenization level. Leveraging such a ZIM, we achieve not only an antenna, approaching the fundamental limit in the directivity with outstanding scalability, but also a concave lens with a focal length of as short as 1 λ 0 . Our highly homogeneous ZIM has profound implications in ceramics, ZIM-based waveguides and cavities, free-space wavefront manipulation, and microwave quantum optics, and opens up enormous possibilities in wireless communications, remote sensing, global positioning satellites, etc. Metamaterial ; Permittivity ; Directivity ; Homogenization (climate) ; Optics ; Wavefront ; Microwave ; Metamaterial antenna ; Ceramic ; Materials science ; Physics ; Omnidirectional antenna ; Optoelectronics ; Computer science ; Antenna (radio) ; Dielectric ; Telecommunications ; Slot antenna Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Antenna Design and Analysis
Authors: Damiano Bandelli | Rosangela Mastrangelo | Giovanna Poggi | David Chelazzi | Piero Baglioni
Source: Chemical Science (article, 2024-01-01)
Field: Materials Science — Polymers and Plastics

New sustainable polymers and oligomers for Cultural Heritage conservation The development of "green" chemistry materials with enhanced properties is a central topic in numerous applicative fields, including the design of polymeric systems for the conservation of works of art. Traditional approaches in art restoration comprise polymer thickeners and viscous dispersions to partially control solvents in the removal of soil or aged varnishes/coatings from artifacts. Alternatively, polymeric gel networks can be specifically designed to grant full control of the cleaning action, yielding safe, time- and cost-effective restorations. The selection of polymers and oligomers in gel design is crucial to tune solvent upload, retention, and controlled release over the sensitive artistic surfaces. Starting from an overview of traditional polymer formulations and state-of-the-art gel systems for cleaning works of art, we provide here the design of a new class of gels, focusing on the selection of oligomers to achieve gels with tailored hydrophilicity/hydrophobicity. We evaluated the oligomers Hydrophilic-Lipophilic Balance (HLB) by developing, for the first time, a novel methodology combining SEC and DOSY NMR analysis, which was tested on a library of "green" oligoesters synthesized by polycondensation and poorly explored in the literature. Oligomers with moderate polydispersity were chosen to validate the new protocol as a robust tool for designing polymeric gels even on industrial scale. The methodology is more time-effective than traditional methods, and gives additional insights on the oligomers physico-chemical nature, evaluating their compatibility with different solvents. Then, we used the selected oligoesters with castor oil to obtain a new class of organogels able to upload solvents with varying polarity, which effectively removed different types of unwanted layers typically found in painting restoration. These results validate the oligomers screening approach and the new class of gels as promising chemical processes/materials in art preservation. The methodology can potentially allow evaluation of HLB also for small molecules (<i>e.g.</i>, surfactants), opening for the formulation of polymers solutions/gels beyond Cultural Heritage conservation, as in pharmaceutics, cosmetics, food industry, tissue engineering, agriculture, and others. Cultural heritage ; Environmental ethics ; Sustainable development ; Cultural heritage management ; World heritage ; Architectural engineering ; Nanotechnology ; Environmental resource management ; Political science ; Environmental planning ; Geography ; Environmental science ; Materials science ; Engineering ; Archaeology ; Philosophy ; Law Polymer composites and self-healing ; Polydiacetylene-based materials and applications ; Aerogels and thermal insulation
Authors: Talib Hussain | Imamdin Chandio | Akbar Ali | Ali Hyder | Ayaz Ali Memon | Jun Yang | Khalid Hussain Thebo
Source: Nanoscale (review, 2024-01-01)
Field: Materials Science — Materials Chemistry

Recent developments of artificial intelligence in MXene-based devices: from synthesis to applications Two-dimensional transition metal carbides, nitrides, or carbonitrides (MXenes) have garnered remarkable attention in various energy and environmental applications due to their high electrical conductivity, good thermal properties, large surface area, high mechanical strength, rapid charge transport mechanism, and tunable surface properties. Recently, artificial intelligence has been considered an emerging technology, and has been widely used in materials science, engineering, and biomedical applications due to its high efficiency and precision. In this review, we focus on the role of artificial intelligence-based technology in MXene-based devices and discuss the latest research directions of artificial intelligence in MXene-based devices, especially the use of artificial intelligence-based modeling tools for energy storage devices, sensors, and memristors. In addition, emphasis is given to recent progress made in synthesis methods for various MXenes and their advantages and disadvantages. Finally, the review ends with several recommendations and suggestions regarding the role of artificial intelligence in fabricating MXene-based devices. We anticipate that this review will provide guidelines on future research directions suitable for practical applications. MXenes ; Computer science ; Nanotechnology ; Systems engineering ; Artificial intelligence ; Materials science ; Engineering MXene and MAX Phase Materials ; Advanced Memory and Neural Computing ; 2D Materials and Applications
Authors: Di Zhang | Hao Li
Source: ChemRxiv (preprint, 2024-12-20)
Field: Materials Science — Materials Chemistry

Digital Catalysis Platform (DigCat): A Gateway to Big Data and AI-Powered Innovations in Catalysis Artificial intelligence (AI) is reshaping catalysis research, yet its impact remains constrained by fragmented, heterogeneous, and non-standardized data. In this Commentary, we argue that the future of AI-driven catalysis depends critically on the development of data-centric infrastructures that integrate experimental results, theoretical insights, and literature knowledge. We highlight the Digital Catalysis Platform (DigCat) as an example of such an approach, combining large-scale curated datasets with tools for visualization, modeling, and machine learning. Building on this foundation, domain-specific AI agents enable automated data analysis, knowledge extraction, and catalyst design, transforming how researchers interact with catalytic data. We discuss how the convergence of big data, AI models, and automation may lead to closed-loop, autonomous discovery systems. Finally, we outline key challenges and opportunities in establishing reliable, interpretable, and scalable AI-driven workflows for catalysis in the data-rich era. Access DigCat at https://www.digcat.org. Gateway (web page) ; Catalysis ; Big data ; Business ; Nanotechnology ; Computer science ; Chemistry ; World Wide Web ; Materials science ; Operating system ; Organic chemistry Machine Learning in Materials Science