jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Kamilia Madi | Derradji Chebli | Hakima Ait Youcef | Hichem Tahraoui | Abdallah Bouguettoucha | Mohammed Kebir | Jie Zhang | Abdeltif Amrane
Source: Catalysts (article, 2024-01-13)
Field: Materials Science — Materials Chemistry

Green Fabrication of ZnO Nanoparticles and ZnO/rGO Nanocomposites from Algerian Date Syrup Extract: Synthesis, Characterization, and Augmented Photocatalytic Efficiency in Methylene Blue Degradation This innovative article provides a detailed description of the successful biosynthesis of zinc nanoparticles (ZnO-NPs) using an aqueous extract of Algerian Date Syrup, also known as molasses. A meticulous process was carried out to determine the optimal calcination temperature for ZnO-NPs, a crucial step in the preparation of these nanoparticles. The study was further extended by creating ZnO/rGOx nanocomposites through a hydrothermal method, varying the concentrations of reduced graphene oxide (rGO) at 5%, 10%, and 15%. The characteristics of the nanocomposites were thoroughly explored, encompassing chemical, optical, and morphological aspects, using sophisticated analysis techniques such as scanning electron microscopy (SEM), UV-visible diffuse reflectance spectroscopy (UV DRS), Fourier-transform infrared spectroscopy (FTIR), and X-ray diffraction (XRD). These analyses provided an in-depth understanding of the structure and properties of the nanocomposites. The centerpiece of this study is the evaluation of the photocatalytic degradation capacity of ZnO-NPs and ZnO/rGOx nanocomposites. These materials have demonstrated their ability to act as cost-effective and environmentally friendly photocatalysts for wastewater treatment. Experiments on methylene blue degradation under UV irradiation were conducted, yielding impressive results: a degradation efficiency of 86.6% was achieved in 140 min using 1 g/L of ZnO-NPs, and this rate reached 100% with the ZnO/rGO catalyst in the same time frame, highlighting its superiority as a photocatalyst. Furthermore, this study examined the variables affecting the photocatalysis experiment, including the solution’s pH and the amount of catalyst. The results revealed that the ZnO/rGO photocatalyst reached its optimal efficiency under neutral pH conditions and at a concentration of 1 g/L, providing crucial information for practical use of these materials. This enriched article highlights the promising potential of ZnO-NPs and ZnO/rGOx nanocomposites as efficient photocatalysts for methylene blue degradation, paving the way for significant environmental applications in wastewater treatment. Photocatalysis ; Nanocomposite ; Materials science ; Calcination ; Fourier transform infrared spectroscopy ; Chemical engineering ; Graphene ; Methylene blue ; Photodegradation ; Nanoparticle ; Diffuse reflectance infrared fourier transform ; Aqueous solution ; Catalysis ; Degradation (telecommunications) ; Nuclear chemistry ; Nanotechnology ; Chemistry ; Organic chemistry ; Computer science Nanoparticles: synthesis and applications ; Advanced Nanomaterials in Catalysis
Authors: Chengyong Zhong | Minglei Sun | Tariq Altalhi | Boris I. Yakobson
Source: Materials (article, 2024-04-24)
Field: Materials Science — Materials Chemistry

Superhard and Superconducting Bilayer Borophene Two-dimensional superconductors, especially the covalent metals such as borophene, have received significant attention due to their new fundamental physics, as well as potential applications. Furthermore, the bilayer borophene has recently ignited interest due to its high stability and versatile properties. Here, the mechanical and superconducting properties of bilayer-δ6 borophene are explored by means of first-principles computations and anisotropic Migdal–Eliashberg analytics. We find that the coexistence of strong covalent bonds and delocalized metallic bonds endows this structure with remarkable mechanical properties (maximum 2D-Young’s modulus of ~570 N/m) and superconductivity with a critical temperature of ~20 K. Moreover, the superconducting critical temperature of this structure can be further boosted to ~46 K by applied strain, which is the highest value known among all borophenes or two-dimensional elemental materials. Borophene ; Superconductivity ; Bilayer ; Covalent bond ; Condensed matter physics ; Delocalized electron ; Materials science ; Anisotropy ; Metallic bonding ; Nanotechnology ; Metal ; Physics ; Chemistry ; Graphene ; Metallurgy ; Quantum mechanics Boron and Carbon Nanomaterials Research ; Superconductivity in MgB2 and Alloys ; Graphene research and applications
Authors: Zhicheng Yang | Yinan Yang | Yufei Huang | Yanyan Shao | Hao He | Shendong Yao | Qiqing Xi | Yinben Guo | Lianming Tong | Muqiang Jian | Yuanlong Shao | Jin Zhang
Source: National Science Review (review, 2024-06-12)
Field: Materials Science — Materials Chemistry

Wet-spinning of carbon nanotube fibers: dispersion, processing and properties Owing to the intrinsic excellent mechanical, electrical, and thermal properties of carbon nanotubes (CNTs), carbon nanotube fibers (CNTFs) have been expected to become promising candidates for the next-generation of high-performance fibers. They have received considerable interest for cutting-edge applications, such as ultra-light electric wire, aerospace craft, military equipment, and space elevators. Wet-spinning is a broadly utilized commercial technique for high-performance fiber manufacturing. Thus, compared with array spinning from drawable CNTs vertical array and direct dry spinning from floating catalyst chemical vapor deposition (FCCVD), the wet-spinning technique is considered to be a promising strategy to realize the production of CNTFs on a large scale. In this tutorial review, we begin with a summative description of CNTFs wet-spinning process. Then, we discuss the high-concentration CNTs wet-spinning dope preparation strategies and corresponding non-covalent adsorption/charge transfer mechanisms. The filament solidification during the coagulation process is another critical procedure for determining the configurations and properties for derived CNTFs. Next, we discuss post-treatment, including continuous drafting and thermal annealing, to further optimize the CNTs orientation and compact configuration. Finally, we summarize the physical property-structure relationship to give insights for further performance promotion in order to satisfy the prerequisite for detailed application. Insights into propelling high-performance CNTFs production from lab-scale to industry-scale are proposed, in anticipation of this novel fiber having an impact on our lives in the near future. Spinning ; Carbon nanotube ; Materials science ; Nanotechnology ; Fiber ; Composite material Carbon Nanotubes in Composites ; Fiber-reinforced polymer composites ; Graphene research and applications
Authors: Hajime Shimakawa | Akiko Kumada | Masahiro Sato
Source: npj Computational Materials (article, 2024-01-10)
Field: Materials Science — Materials Chemistry

Extrapolative prediction of small-data molecular property using quantum mechanics-assisted machine learning Abstract Data-driven materials science has realized a new paradigm by integrating materials domain knowledge and machine-learning (ML) techniques. However, ML-based research has often overlooked the inherent limitation in predicting unknown data: extrapolative performance, especially when dealing with small-scale experimental datasets. Here, we present a comprehensive benchmark for assessing extrapolative performance across 12 organic molecular properties. Our large-scale benchmark reveals that conventional ML models exhibit remarkable performance degradation beyond the training distribution of property range and molecular structures, particularly for small-data properties. To address this challenge, we introduce a quantum-mechanical (QM) descriptor dataset, called QMex, and an interactive linear regression (ILR), which incorporates interaction terms between QM descriptors and categorical information pertaining to molecular structures. The QMex-based ILR achieved state-of-the-art extrapolative performance while preserving its interpretability. Our benchmark results, QMex dataset, and proposed model serve as valuable assets for improving extrapolative predictions with small experimental datasets and for the discovery of novel materials/molecules that surpass existing candidates. Interpretability ; Benchmark (surveying) ; Property (philosophy) ; Computer science ; Categorical variable ; Machine learning ; Range (aeronautics) ; Scale (ratio) ; Artificial intelligence ; Data mining ; Physics ; Materials science Machine Learning in Materials Science ; Computational Drug Discovery Methods ; X-ray Diffraction in Crystallography
Authors: Ruidong Li | Jie Li | Qianwen Liu | Tingxi Li | Di Lan | Yong Ma
Source: Advanced Composites and Hybrid Materials (article, 2024-12-26)
Field: Materials Science — Materials Chemistry

Recent progress on covalent organic frameworks and their composites as electrode materials for supercapacitors Supercapacitor ; Expansive ; Nanotechnology ; Capacitive sensing ; Materials science ; Energy storage ; Electrochemical energy storage ; Fabrication ; Porosity ; Electrode ; Electrochemistry ; Composite material ; Engineering ; Electrical engineering ; Chemistry ; Physics ; Power (physics) Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Conducting polymers and applications
Authors: Lawson T. Glasby | Joan Cordiner | Jason C. Cole | Peyman Z. Moghadam
Source: Chemistry of Materials (review, 2024-07-22)
Field: Chemistry — Inorganic Chemistry

Topological Characterization of Metal–Organic Frameworks: A Perspective Metal-organic frameworks (MOFs) began to emerge over two decades ago, resulting in the deposition of 120 000 MOF-like structures (and counting) into the Cambridge Structural Database (CSD). Topological analysis is a critical step toward understanding periodic MOF materials, offering insight into the design and synthesis of these crystals via the simplification of connectivity imposed on the complete chemical structure. While some of the most prevalent topologies, such as face-centered cubic (<b>fcu</b>), square lattice (<b>sql</b>), and diamond (<b>dia</b>), are simple and can be easily assigned to structures, MOFs that are built from complex building blocks, with multiple nodes of different symmetry, result in difficult to characterize topological configurations. In these complex structures, representations can easily diverge where the definition of nodes and linkers are blurred, especially for cases where they are not immediately obvious in chemical terms. Currently, researchers have the option to use software such as ToposPro, MOFid, and CrystalNets to aid in the assignment of topology descriptors to new and existing MOFs. These software packages are readily available and are frequently used to simplify original MOF structures into their basic connectivity representations before algorithmically matching these condensed representations to a database of underlying mathematical nets. These approaches often require the use of in-built bond assignment algorithms alongside the simplification and matching rules. In this Perspective, we discuss the importance of topology within the field of MOFs, the methods and techniques implemented by these software packages, and their availability and limitations and review their uptake within the MOF community. Characterization (materials science) ; Metal-organic framework ; Perspective (graphical) ; Materials science ; Metal ; Topology (electrical circuits) ; Nanotechnology ; Chemistry ; Organic chemistry ; Engineering ; Adsorption ; Geometry ; Metallurgy ; Mathematics ; Electrical engineering Metal-Organic Frameworks: Synthesis and Applications ; X-ray Diffraction in Crystallography ; Enhanced Oil Recovery Techniques
Authors: Simone Lamon | Haoyi Yu | Qiming Zhang | Miṅ Gu
Source: Light Science & Applications (review, 2024-09-14)
Field: Materials Science — Materials Chemistry

Lanthanide ion-doped upconversion nanoparticles for low-energy super-resolution applications Energy-intensive technologies and high-precision research require energy-efficient techniques and materials. Lens-based optical microscopy technology is useful for low-energy applications in the life sciences and other fields of technology, but standard techniques cannot achieve applications at the nanoscale because of light diffraction. Far-field super-resolution techniques have broken beyond the light diffraction limit, enabling 3D applications down to the molecular scale and striving to reduce energy use. Typically targeted super-resolution techniques have achieved high resolution, but the high light intensity needed to outperform competing optical transitions in nanomaterials may result in photo-damage and high energy consumption. Great efforts have been made in the development of nanomaterials to improve the resolution and efficiency of these techniques toward low-energy super-resolution applications. Lanthanide ion-doped upconversion nanoparticles that exhibit multiple long-lived excited energy states and emit upconversion luminescence have enabled the development of targeted super-resolution techniques that need low-intensity light. The use of lanthanide ion-doped upconversion nanoparticles in these techniques for emerging low-energy super-resolution applications will have a significant impact on life sciences and other areas of technology. In this review, we describe the dynamics of lanthanide ion-doped upconversion nanoparticles for super-resolution under low-intensity light and their use in targeted super-resolution techniques. We highlight low-energy super-resolution applications of lanthanide ion-doped upconversion nanoparticles, as well as the related research directions and challenges. Our aim is to analyze targeted super-resolution techniques using lanthanide ion-doped upconversion nanoparticles, emphasizing fundamental mechanisms governing transitions in lanthanide ions to surpass the diffraction limit with low-intensity light, and exploring their implications for low-energy nanoscale applications. Photon upconversion ; Lanthanide ; Doping ; Materials science ; Ion ; Nanoparticle ; Optoelectronics ; Nanotechnology ; Optics ; Chemistry ; Physics Luminescence Properties of Advanced Materials ; Radiation Detection and Scintillator Technologies ; Photorefractive and Nonlinear Optics
Authors: Anupriya Baranwal | Shakil Ahmed Polash | Vijay Kumar Aralappanavar | Bijay Kumar Behera | Vipul Bansal | Ravi Shukla
Source: Nanomaterials (article, 2024-01-23)
Field: Materials Science — Materials Chemistry

Recent Progress and Prospect of Metal–Organic Framework-Based Nanozymes in Biomedical Application A nanozyme is a nanoscale material having enzyme-like properties. It exhibits several superior properties, including low preparation cost, robust catalytic activity, and long-term storage at ambient temperatures. Moreover, high stability enables repetitive use in multiple catalytic reactions. Hence, it is considered a potential replacement for natural enzymes. Enormous research interest in nanozymes in the past two decades has made it imperative to look for better enzyme-mimicking materials for biomedical applications. Given this, research on metal-organic frameworks (MOFs) as a potential nanozyme material has gained momentum. MOFs are advanced hybrid materials made of inorganic metal ions and organic ligands. Their distinct composition, adaptable pore size, structural diversity, and ease in the tunability of physicochemical properties enable MOFs to mimic enzyme-like activities and act as promising nanozyme candidates. This review aims to discuss recent advances in the development of MOF-based nanozymes (MOF-NZs) and highlight their applications in the field of biomedicine. Firstly, different enzyme-mimetic activities exhibited by MOFs are discussed, and insights are given into various strategies to achieve them. Modification and functionalization strategies are deliberated to obtain MOF-NZs with enhanced catalytic activity. Subsequently, applications of MOF-NZs in the biosensing and therapeutics domain are discussed. Finally, the review is concluded by giving insights into the challenges encountered with MOF-NZs and possible directions to overcome them in the future. With this review, we aim to encourage consolidated efforts across enzyme engineering, nanotechnology, materials science, and biomedicine disciplines to inspire exciting innovations in this emerging yet promising field. Nanotechnology ; Biochemical engineering ; Metal-organic framework ; Biomedicine ; Biosensor ; Materials science ; Computer science ; Chemistry ; Engineering ; Bioinformatics Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications ; Advanced biosensing and bioanalysis techniques
Authors: Thangavel Vijayakanth | Sneha Dasgupta | Pragati Ganatra | Sigal Rencus‐Lazar | Aamod V. Desai | Shyamapada Nandi | Rahul Jain | Santu Bera | Andy I. Nguyen | Ehud Gazit | Rajkumar Misra
Source: Chemical Society Reviews (review, 2024-01-01)
Field: Materials Science — Biomaterials

Peptide hydrogen-bonded organic frameworks Hydrogen-bonded porous frameworks (HPFs) are versatile porous crystalline frameworks with diverse applications. However, designing chiral assemblies or biocompatible materials poses significant challenges. Peptide-based hydrogen-bonded porous frameworks (P-HPFs) are an exciting alternative to conventional HPFs due to their intrinsic chirality, tunability, biocompatibility, and structural diversity. Flexible, ultra-short peptide-based P-HPFs (composed of 3 or fewer amino acids) exhibit adaptable porous topologies that can accommodate a variety of guest molecules and capture hazardous greenhouse gases. Longer, folded peptides present challenges and opportunities in designing P-HPFs. This review highlights recent developments in P-HPFs using ultra-short peptides, folded peptides, and foldamers, showcasing their utility for gas storage, chiral recognition, chiral separation, and medical applications. It also addresses design challenges and future directions in the field. Chirality (physics) ; Biocompatibility ; Nanotechnology ; Materials science ; Peptide ; Porosity ; Biocompatible material ; Porous medium ; Hydrogen ; Combinatorial chemistry ; Chemistry ; Organic chemistry ; Engineering ; Biomedical engineering ; Physics ; Biochemistry ; Composite material Supramolecular Self-Assembly in Materials ; Metal-Organic Frameworks: Synthesis and Applications ; Chemical Synthesis and Analysis
Authors: Ahrum Son | Woojin Kim | Jongham Park | Yongho Park | Wonseok Lee | Sangwoon Lee | Hyunsoo Kim
Source: International Journal of Molecular Sciences (review, 2024-09-12)
Field: Chemistry — Spectroscopy

Mass Spectrometry Advancements and Applications for Biomarker Discovery, Diagnostic Innovations, and Personalized Medicine Mass spectrometry (MS) has revolutionized clinical chemistry, offering unparalleled capabilities for biomolecule analysis. This review explores the growing significance of mass spectrometry (MS), particularly when coupled with liquid chromatography (LC), in identifying disease biomarkers and quantifying biomolecules for diagnostic and prognostic purposes. The unique advantages of MS in accurately identifying and quantifying diverse molecules have positioned it as a cornerstone in personalized-medicine advancement. MS-based technologies have transformed precision medicine, enabling a comprehensive understanding of disease mechanisms and patient-specific treatment responses. LC-MS has shown exceptional utility in analyzing complex biological matrices, while high-resolution MS has expanded analytical capabilities, allowing the detection of low-abundance molecules and the elucidation of complex biological pathways. The integration of MS with other techniques, such as ion mobility spectrometry, has opened new avenues for biomarker discovery and validation. As we progress toward precision medicine, MS-based technologies will be crucial in addressing the challenges of individualized patient care, driving innovations in disease diagnosis, prognosis, and treatment strategies. Precision medicine ; Personalized medicine ; Biomarker discovery ; Biomarker ; Computational biology ; Biomolecule ; Mass spectrometry ; Data science ; Computer science ; Nanotechnology ; Proteomics ; Bioinformatics ; Chemistry ; Medicine ; Biology ; Chromatography ; Materials science Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Advanced Proteomics Techniques and Applications
Authors: Fan Yang | Jing Guo | Chengzhe Han | Junhui Huang | Zhiwei Zhou | Shi‐Peng Sun | Yanqiu Zhang | Lu Shao
Source: Science Advances (article, 2024-12-11)
Field: Materials Science — Materials Chemistry

Turing covalent organic framework membranes via heterogeneous nucleation synthesis for organic solvent nanofiltration Although covalent organic frameworks (COFs) demonstrate notable potential for developing advanced separation membranes, contemporary COF membranes still lack controlled stacking and highly efficient sieving. Here, Turing-architecture COF membranes were constructed by engineering a reaction-diffusion assembly process via heterogeneous nucleation synthesis with tannic acid (TA). TA covalently binds with amine monomers to form a composite precursor with increased reactivity and decreased diffusivity. This altered the pathway of Schiff base reactions with aldehyde monomers, fulfilling suitable reaction-diffusion conditions, and ultimately formed the labyrinthine stripe or spot-patterned Turing COF film with controlled stacking and uniform pore structure. This endows our COF membrane with highly efficient molecule sieving ability for organic solvent nanofiltration while exhibiting a flux that is 621% greater than that of commercial membranes. Thus, this study provides a paradigm for the in situ synthesis of highly efficient COF membranes for diversely sustainable separations. Membrane ; Nanofiltration ; Covalent organic framework ; Covalent bond ; Chemical engineering ; Monomer ; Stacking ; Nucleation ; Materials science ; Polymer chemistry ; Chemistry ; Organic chemistry ; Polymer Covalent Organic Framework Applications ; Membrane Separation and Gas Transport ; Membrane Separation Technologies