jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yandong Han | Lin Zhang | Wensheng Yang
Source: Nanomaterials (article, 2024-05-21)
Field: Materials Science — Materials Chemistry

Synthesis of Mesoporous Silica Using the Sol–Gel Approach: Adjusting Architecture and Composition for Novel Applications The sol-gel chemistry of silica has long been used for manipulating the size, shape, and microstructure of mesoporous silica particles. This manipulation is performed in mild conditions through controlling the hydrolysis and condensation of silicon alkoxide. Compared to amorphous silica particles, the preparation of mesoporous silica, such as MCM-41, using the sol-gel approach offers several unique advantages in the fields of catalysis, medicament, and environment, due to its ordered mesoporous structure, high specific surface area, large pore volume, and easily functionalized surface. In this review, our primary focus is on the latest research related to the manipulation of mesoporous silica architectures using the sol-gel approach. We summarize various structures, including hollow, yolk-shell, multi-shelled hollow, Janus, nanotubular, and 2D membrane structures. Additionally, we survey sol-gel strategies involving the introduction of various functional elements onto the surface of mesoporous silica to enhance its performance. Furthermore, we outline the prospects and challenges associated with mesoporous silica featuring different structures and functions in promising applications, such as high-performance catalysis, biomedicine, wastewater treatment, and CO<sub>2</sub> capture. Mesoporous material ; Materials science ; Mesoporous organosilica ; Mesoporous silica ; Nanotechnology ; Sol-gel ; Chemical engineering ; Specific surface area ; Catalysis ; Organic chemistry ; Chemistry Mesoporous Materials and Catalysis ; Polyoxometalates: Synthesis and Applications ; Layered Double Hydroxides Synthesis and Applications
Authors: Asma Ghazzy | Hamdi Nsairat | Rana Said | Obada A. Sibai | Aseel AbuRuman | Ala’a S. Shraim | Afnan Al‐Hunaiti
Source: Nanoscale Advances (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Magnetic iron oxide-based nanozymes: from synthesis to application Iron oxide nanozymes (IONzymes) are a class of magnetic nanoparticles that mimic the enzymatic activity of natural enzymes. These particles have received significant attention in recent years due to their unique properties, such as high stability, tunable magnetic responsiveness, and ability to act as biocatalysts for various chemical reactions. In this review, we aim to provide an overview of the production methods of magnetic nanozymes, including chemical, physical, and biological synthesis. The structure and design of magnetic nanozymes are also discussed in detail, as well as their applications in various fields such as biomedicine and environmental science. The results of various studies and the latest advances in the field of magnetic nanozymes are also discussed. This review provides valuable insights into the current state of magnetic nanozymes and highlights their potential for further development and application in various fields. Iron oxide ; Oxide ; Nanotechnology ; Materials science ; Computer science ; Metallurgy Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications ; Electrochemical sensors and biosensors
Authors: Xiaohong Zhou | Qian Zhu | Anqi Zheng | Boyuan Xue | Qihui Wang | L. K. Chin | Jingkun Jiang | Miao He
Source: hLife (article, 2024-07-30)
Field: Chemistry — Organic Chemistry

De novo design of covalent bonding peptides for target protein To rapidly develop hyper-stable inhibitors that bind specifically and covalently to functional proteins is critical for diagnostics and therapeutics. Taking targeting severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) variants as an example, we report a fast and low-cost de novo design strategy on covalent bonding peptides toward the SARS-CoV-2 spike protein receptor-binding domain (RBD), hence blocking its interaction with the human angiotensin-converting enzyme 2 (hACE2). As a proof-of-concept, peptide scaffolds built by ligating the hotspot residues at the hACE2-Omicron RBD interface were docked against RBD, and then the chemically modified peptides were designed by predicting their reactivity against RBD using a modified Amber ff14SB force field. Two peptides (15- and 16-mer peptides) were equipped with sulfonyl fluoride warheads bound with the conserved Y449 residue of RBD via the sulfur (VI) fluoride exchange (SuFEx) click chemistry. With permanent bonding and without dissociation, the two peptides blocked Omicron BA.2 pseudovirus infection with IC50 values of 1.07 μM and 1.56 μM, respectively. Our design approach greatly promotes the discovery of hyper-stable inhibitors against SARS-CoV-2 variants and other rapidly evolving viruses, potentially applicable to combat future viral outbreaks efficiently. Covalent bond ; Chemistry ; Peptide ; Combinatorial chemistry ; Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) ; Residue (chemistry) ; Cysteine ; Coronavirus disease 2019 (COVID-19) ; Biochemistry ; Biophysics ; Enzyme ; Stereochemistry ; Computational biology ; Biology ; Infectious disease (medical specialty) Click Chemistry and Applications ; Monoclonal and Polyclonal Antibodies Research ; Peptidase Inhibition and Analysis
Authors: Jing-Lin Song | Chao Chen | Xue Li | Yefei Jiang | Zhiyong Peng | Xu‐Qing Wang | Hai‐Bo Yang | Wei Wang
Source: Nature Communications (article, 2024-12-03)
Field: Chemistry — Organic Chemistry

Boosting the circularly polarized luminescence of pyrene-tiaraed pillararenes through mechanically locking Attributed to their unique dynamic planar chirality, pillar[n]arenes, particularly pillar[5]arenes, have evolved as promising platforms for diverse applications such as circularly polarized luminescence (CPL) emitters. However, due to the unit flipping and swing, the achievement of excellent CPL performances of pillar[5]arenes in solution state remains a formidable challenge. To deal with this key issue, a mechanically locking approach has been successfully developed, leading to boosted dissymmetry factor (g<sub>lum</sub>) values of pyrene-tiaraed pillar[5]arenes up to 0.015 through the formation of corresponding [2]rotaxanes. More importantly, taking advantage of the stably locked co-conformers, these resultant [2]rotaxanes maintain excellent CPL performances in diverse solvents and wide range of concentrations, making them promising candidates for practical applications. According to this proof-of-concept study, we have not only successfully developed a powerful strategy for the rational design of chiral luminescent materials with desired CPL performances but also contributed a promising platform for the construction of smart chiral materials. Luminescence ; Pillar ; Pyrene ; Chirality (physics) ; Planar ; Nanotechnology ; Materials science ; Optoelectronics ; Chemistry ; Computer science ; Organic chemistry ; Physics ; Engineering Synthesis and Properties of Aromatic Compounds ; Supramolecular Chemistry and Complexes ; Luminescence and Fluorescent Materials
Authors: Xuanxuan Wang | Nan Gao | Jiuhong Zhao | Guixia Ling | Peng Zhang
Source: Coordination Chemistry Reviews (article, 2024-06-20)
Field: Materials Science — Biomaterials

Applications of Material Institute Lavoisier (MIL) based materials as nano drug delivery carriers in biomedicine Chemistry ; Biomedicine ; Drug delivery ; Nanotechnology ; Nano- ; Drug carrier ; Chemical engineering ; Organic chemistry Nanoparticle-Based Drug Delivery ; Metal-Organic Frameworks: Synthesis and Applications ; Supramolecular Self-Assembly in Materials
Authors: Adrián Ramírez | Erwin Lam | Daniel Pacheco Gutiérrez | Yuhui Hou | Hermann Tribukait | Loı̈c M. Roch | Christophe Copéret | Paco Laveille
Source: Chem Catalysis (article, 2024-01-21)
Field: Materials Science — Materials Chemistry

Accelerated exploration of heterogeneous CO2 hydrogenation catalysts by Bayesian-optimized high-throughput and automated experimentation A closed-loop data-driven approach was used to optimize catalyst compositions for the direct transformation of carbon dioxide (CO2) into methanol by combining Bayesian optimization (BO), automated synthesis, and high-throughput catalytic performance evaluation in fixed-bed reactors. The BO algorithm optimized a four-objective function simultaneously considering 8 experimental variables. In 6 weeks, 144 catalysts over 6 generations were synthesized and tested with limited manual laboratory activity. Between the first and fifth catalyst generation, the average CO2 conversion and methanol formation rates have been multiplied by 5.7 and 12.6, respectively, while simultaneously dividing the methane production rate and cost by 3.2 and 6.3, respectively. The best catalyst of the study shows an optimized composition of 1.85 wt % Cu, 0.69 wt % Zn, and 0.05 wt % Ce supported on ZrO2. Notably, the same dataset could also be reused to optimize the process toward different objectives and enable the identification of other catalyst compositions. Throughput ; Bayesian probability ; Catalysis ; Computer science ; Process engineering ; Environmental science ; Chemistry ; Artificial intelligence ; Engineering ; Organic chemistry ; Telecommunications Machine Learning in Materials Science ; Catalytic Processes in Materials Science ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Wenjing Dou | Tengteng Li | Xinping Zhang | Aihua He
Source: Progress in Organic Coatings (article, 2024-08-05)
Field: Materials Science — Polymers and Plastics

Designs and recent progress of intrinsic low dielectric polyimide films Materials science ; Polyimide ; Dielectric ; Composite material ; Engineering physics ; Nanotechnology ; Optoelectronics ; Layer (electronics) Synthesis and properties of polymers ; Silicone and Siloxane Chemistry ; Dielectric materials and actuators
Authors: Abbas Shoukat | Britta Pitann | Muhammad Mubashar Zafar | Muhammad Awais Farooq | Muhammad Haroon | Allah Nawaz | Syed Wasiq Wahab | Zulfiqar Ahmad Saqib
Source: Journal of Plant Nutrition and Soil Science (article, 2024-07-27)
Field: Materials Science — Materials Chemistry

Nanotechnology for climate change mitigation: Enhancing plant resilience under stress environments Abstract Background Nanotechnology, utilizing nanoparticles (NPs) with unique physicochemical properties, has significant potential in enhancing sustainable agriculture through innovations in plant nutrition, growth, and protection. Aims This review aims to assess how nanotechnology, particularly NPs, contributes to sustainable agriculture by improving plant nutrition and growth, enhancing stress resistance, and offering solutions for phytoremediation and agricultural efficiency. Methods We examine studies showcasing the application of NPs in agriculture, focusing on their effects on plant growth, nutrient delivery, stress mitigation, pollutant removal, and the enhancement of food shelf life through nano‐encapsulated fertilizers and nano‐sensors. Results NPs have demonstrated promising results in slow‐release fertilizers for targeted nutrient delivery, improved germination and physiological activity under stress, and enhanced efficiency in phytoremediation by aiding the removal of pollutants. Nano‐sensors in food packaging detect deterioration and extend food shelf life, whereas nano‐encapsulation of agrochemicals offers environment‐friendly pest and nutrient management solutions. Conclusions Nanotechnology presents a forward‐looking approach to sustainable agriculture by enhancing crop productivity, resource use efficiency, and environmental protection. Continued research is essential to unlock the full potential of NPs in agriculture, emphasizing safe and efficient application methods to mitigate abiotic and biotic stresses and promote sustainability. Agriculture ; Sustainable agriculture ; Environmental science ; Sustainability ; Crop productivity ; Phytoremediation ; Abiotic stress ; Agrochemical ; Chemistry ; Ecology ; Biology Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; Polymer-Based Agricultural Enhancements
Authors: Ling Liu | Xiaona Wang | Hehua Jin | Jin Wang | Qingwen Li
Source: Advanced Sustainable Systems (article, 2024-11-28)
Field: Materials Science — Materials Chemistry

Carbon Nanotube‐Derived Materials for Smart Thermal Management Abstract Thermal management involves precisely controlling temperatures in systems, devices, or electronic products to ensure optimal performance, stability, enhanced efficiency, and lifespan, which include high thermal conductivity, superthermal insulation, and active and passive heating. Carbon nanotubes (CNTs), known for their low density, high mechanical strength, and superior thermal and electrical conductivities, represent ideal materials for lightweight, high‐strength applications, showcasing extensive benefits and potential in intelligent thermal management. This review explores the use of CNTs in improving thermal conductivity, insulation, photothermal conversion, and electrical heating, underscoring their unique advantages and broad application prospects in smart thermal management systems. Specifically, the article outlines the advantages of CNT materials in elevating thermal efficiency, enhancing insulation characteristics, and increasing energy conversion rates, offering vital scientific and technical guidance for creating innovative, next‐generation thermal management materials. By systematically analyzing and forecasting, this review provides strategic direction for the research and development of high‐performance thermal management materials, heralding the significant role of CNT materials in future studies. Carbon nanotube ; Materials science ; Nanotechnology ; Thermal ; Nanotube ; Physics ; Thermodynamics Thermal properties of materials ; Carbon Nanotubes in Composites ; Thermal Radiation and Cooling Technologies
Authors: Arash Nemati | Omid Babaie Rizvandi | Francesco Mondi | Henrik Lund Frandsen
Source: Energy Conversion and Management (article, 2024-04-11)
Field: Materials Science — Materials Chemistry

Detailed 3D multiphysics modeling of an ammonia-fueled solid oxide fuel cell: Anode off-gas recirculation and Ni nitriding degradation A deep understanding of underlying processes and possible challenges is required for the development of ammonia-fueled solid oxide fuel cell (SOFC) systems. In this context, a detailed 3D multiphysics model of an ammonia-fueled SOFC is developed in the current study. Anode off-gas recirculation and nickel nitriding as two of the main aspects of ammonia-fueled SOFCs are investigated in the current study. The developed model is validated with experimental data under various conditions including direct and pre-cracked ammonia cases for various flow rates at different temperatures (700–850 °C) as well as different recirculation rates. A good agreement is achieved between the model results and the measurement indicating that the physics are well captured. Furthermore, nickel nitriding as one of the main challenges in the direct ammonia-fueled SOFCs is addressed and qualitatively validated with experimental data. The model can explain the reduction of performance difference between direct ammonia-fueled SOFC compared to its pre-cracked counterpart by reducing the fuel flow rate (increasing fuel utilization) and increasing the operating temperature. The highest performance difference (5.87%) is observed at 700 °C and fuel utilization of 14%, and the lowest difference (0.05%) belongs to 850 °C and fuel utilization of 70% at 0.5 A/cm2. Anode off-gas recirculation is found to yield significant savings in ammonia fuel around 21–27% while a slight power reduction (0.34–0.88%) is observed by increasing the recirculation rate from 70 to 90% compared to the case without recirculation. Excessive amount of nitrogen in the high recirculation rates does not show a significant effect on the performance. Nickel nitriding is reduced by increasing the temperature and fuel utilization. Multiphysics ; Anode ; Nitriding ; Ammonia ; Solid oxide fuel cell ; Nuclear engineering ; Oxide ; Materials science ; Volumetric flow rate ; Chemistry ; Waste management ; Metallurgy ; Nitrogen ; Engineering ; Thermodynamics ; Electrode ; Physics Advancements in Solid Oxide Fuel Cells ; Electronic and Structural Properties of Oxides ; Catalytic Processes in Materials Science
Authors: Lei Zhang | Zhuo Ran Huang | Xiaohong Chen | Yi Ning Zheng | Shuo Liu | Vincenzo Galdi | Tie Jun Cui
Source: Advanced Functional Materials (article, 2024-01-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Co‐Prime Modulation for Space‐Time‐Coding Digital Metasurfaces with Ultralow‐Scattering Characteristics Abstract Multi‐dimensional modulation of electromagnetic (EM) waves is critical in various fields such as electronic and photonic systems. Space‐time‐coding (STC) digital metasurfaces, an innovative platform for programmable metasurfaces, offer a straightforward and robust solution for spatio‐temporal modulation, thereby enabling EM‐wave manipulations in both space and frequency. Conventional STC schemes rely on periodic temporal modulations that are uniform in space (i.e., with same modulation frequency in all metasurface elements), and therefore do not take advantage of spatio‐temporal coupling effects that can be induced by non‐uniform periodic modulations (i.e., with different modulation frequencies across the metasurface elements). Here, a novel approach involving non‐uniform spatio‐temporal modulation, alongside co‐prime modulation, is introduced. This approach enhances the fundamental principles of STC digital metasurfaces and facilitates the synthesis of angular scattering responses across different frequencies, guided by harmonic coupling conditions. The proposed strategy results in a more even distribution of the scattered intensity in both space and frequency. For validation, an experimental proof‐of‐principle for spatial‐spectral diffuse scattering is presented. The experimental outcomes align closely with theoretical predictions, underscoring the effectiveness of co‐prime modulation in achieving ultralow‐scattering characteristics in STC digital metasurfaces. Moreover, this technique holds promise for applications in secure wireless communications, radar jamming, and complex beamforming. Materials science ; Modulation (music) ; Coding (social sciences) ; Scattering ; Prime (order theory) ; Space (punctuation) ; Optoelectronics ; Optics ; Acoustics ; Computer science ; Physics Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Antenna Design and Analysis
Authors: Urooj Tariq | Muhammad Zubair Khan | Osama Gohar | Zaheer Ud Din Babar | Farman Ali | Rizwan Ahmed Malik | Inna A. Starostina | Samia | Javed Rehman | Iftikhar Hussain | Mohsin Saleem | Abdul Ghaffar | Mohsin Ali Marwat | Kun Zheng | Martin Motola | Muhammad Bilal Hanif
Source: Journal of Power Sources (article, 2024-06-21)
Field: Materials Science — Materials Chemistry

Bridging the Gap between fundamentals and efficient devices: Advances in proton-conducting oxides for low-temperature solid oxide fuel cells Bridging (networking) ; Oxide ; Fuel cells ; Materials science ; Solid oxide fuel cell ; Nanotechnology ; Engineering physics ; Chemical engineering ; Inorganic chemistry ; Chemistry ; Engineering ; Computer science ; Metallurgy ; Physical chemistry ; Anode Advancements in Solid Oxide Fuel Cells ; Electronic and Structural Properties of Oxides ; Magnetic and transport properties of perovskites and related materials
Authors: Yulong Ye | Heyi Yang | Liang Liang | Qinan Mao | Fangyi Zhao | Yiwen Zhu | Meijiao Liu | Jiasong Zhong
Source: Laser & Photonics Review (article, 2024-09-03)
Field: Materials Science — Materials Chemistry

Fine‐Tuning of Near‐Infrared Emission in Fe‐Activated Spinel Phosphors via the Synergistic Effect of Sites Inversion and Atomic Disorder Abstract Achieving continuous tunability, high efficiency, and outstanding thermal stability of near‐infrared (NIR) phosphors remains challenging for optoelectronic device fields. To address this issue, a strategy is proposed based on the substitution of both cations and anions in the intermediate spinel structure, which successfully achieved fine‐tuning of NIR emission of Mg 1+y Ga 2‐y O 4‐y F y :Fe 3+ phosphors with prominent optical characteristics. The NIR emission contains new luminescent centers with random O/F coordination and is successfully constructed. This co‐substitution promotes further inversion of the cationic sites and induces atomic disorder, changing the crystal coordination environment and making Fe 3+ breakthrough the Laporte selection rule, enabling fine‐tuning of Fe 3+ emissions in the range of 707–740 nm and broadening of the full width at half maximum by 30 nm. Moreover, the Mg 1.15 Ga 1.85 O 3.85 F 0.15 :Fe 3+ phosphor reached a high quantum yield of 71.6% and presented excellent thermal stability with an emission intensity retention of 81% at 493 K. The emission of the fabricated NIR phosphor‐converted light‐emitting diodes also matched well with the photosensitive pigment P fr , demonstrating its feasibility for plant growth lighting applications. Spinel ; Phosphor ; Infrared ; Inversion (geology) ; Materials science ; Optoelectronics ; Optics ; Metallurgy ; Physics ; Geology Luminescence Properties of Advanced Materials ; Glass properties and applications ; Radiation Detection and Scintillator Technologies
Authors: Giorgio Volpi | Enzo Laurenti | Roberto Rabezzana
Source: Molecules (article, 2024-06-05)
Field: Chemistry — Organic Chemistry

Imidazopyridine Family: Versatile and Promising Heterocyclic Skeletons for Different Applications In recent years, there has been increasing attention focused on various products belonging to the imidazopyridine family; this class of heterocyclic compounds shows unique chemical structure, versatile optical properties, and diverse biological attributes. The broad family of imidazopyridines encompasses different heterocycles, each with its own specific properties and distinct characteristics, making all of them promising for various application fields. In general, this useful category of aromatic heterocycles holds significant promise across various research domains, spanning from material science to pharmaceuticals. The various cores belonging to the imidazopyridine family exhibit unique properties, such as serving as emitters in imaging, ligands for transition metals, showing reversible electrochemical properties, and demonstrating biological activity. Recently, numerous noteworthy advancements have emerged in different technological fields, including optoelectronic devices, sensors, energy conversion, medical applications, and shining emitters for imaging and microscopy. This review intends to provide a state-of-the-art overview of this framework from 1955 to the present day, unveiling different aspects of various applications. This extensive literature survey may guide chemists and researchers in the quest for novel imidazopyridine compounds with enhanced properties and efficiency in different uses. Imidazopyridine ; Nanotechnology ; Computer science ; Biochemical engineering ; Chemistry ; Combinatorial chemistry ; Materials science ; Engineering Multicomponent Synthesis of Heterocycles ; Synthesis and Biological Evaluation ; Catalytic C–H Functionalization Methods