jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Athul Asokan Thulasi | N. Y. Sreedhar | Himagirish K Rao | Karumanchi Susmitha | V. Manjunath | N. V. Srihari | Duvvuri Sai Vinathi | V. Thangaraj
Source: Asian Journal of Chemistry (article, 2024-12-31)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Structural, Morphological and Electrochemical Studies of Synthesized BaCuTiO3 Doped NiTiO3 Nanocomposites for Energy Storage Application This research explores the development of Ba0.8Cu0.2TiO3 and NiTiO3 nanocomposites for use in high-performance flexible piezoelectric energy harvesters (FPEHs). This study aims to address the brittleness of traditional piezoceramics by developing flexible nanocomposites that are compatible with wearable electronics. The nanocomposites were synthesized and characterized using various techniques including X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), energy-dispersive X-ray spectroscopy (EDS), Fourier-transform infrared spectroscopy (FTIR), ultraviolet-visible spectroscopy (UV-Vis), photoluminescence (PL), vibrating sample magnetometry (VSM) and X-ray photoelectron spectroscopy (XPS), cyclic voltammetry (C-V) measurements were employed to evaluate the electrical properties, while piezoelectric modeling and various circuit designs were explored to optimize energy efficiency. The results demonstrate that the addition of NiTiO3 to Ba0.8Cu0.2TiO3 alters the electrical and magnetic properties of the composite, enhancing its suitability for energy storage applications. The energy storage applications of the nanocomposites were evaluated by measuring output voltage, stored energy, open-circuit voltage and short-circuit current. These findings indicated that Ba0.8Cu0.2TiO3-NiTiO3 nanocomposites are the promising materials for flexible piezoelectric energy harvesters, offering improved mechanical flexibility, energy conversion efficiency and environmental stability. This work contributes to the advancement of sustainable energy solutions for powering low-power electronics and portable devices. Chemistry ; Doping ; Electrochemistry ; Nanocomposite ; Energy storage ; Chemical engineering ; Nanotechnology ; Physical chemistry ; Optoelectronics ; Electrode ; Materials science ; Thermodynamics ; Physics Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Transition Metal Oxide Nanomaterials
Authors: Rusong Sang
Source: Academic Journal of Science and Technology (article, 2024-03-26)
Field: Materials Science — Materials Chemistry

Controllable Synthesis of Hollow Silica Nanospheres Nano hollow SiO2 refers to a unique form of nanoscale silica material that has an inner cavity structure. This hollow configuration offers several advantages over solid structures, including a larger specific surface area, lower density, and improved permeability. Additionally, hollow silica is chemically inert and thermally stable, making it an excellent candidate for drug delivery applications. Silica's transparency to both light and magnetism ensures that it does not absorb light or disrupt magnetic fields, preserving the inherent optical or magnetic properties of certain composites. In addition, its porosity, biocompatibility, and mechanical stability are adjustable and controllable, making it an ideal and cost-effective material for both industrial and biological uses. This study synthesised a range of hollow spherical silica samples via the sol-gel process. The aim was to investigate the impact of different factors on their sphericity and wall thickness. Materials science ; Nanotechnology ; Chemical engineering ; Engineering Mesoporous Materials and Catalysis
Authors: Tasuku Honda | Daiji Ogata | Makoto Tsurui | Satoshi Yoshida | Sota Sato | Takahiro Muraoka | Yuichi Kitagawa | Yasuchika Hasegawa | Junpei Yuasa | Hiroki Oguri
Source: Angewandte Chemie (article, 2024-01-03)
Field: Chemistry — Organic Chemistry

Rapid Synthesis of Chiral Figure‐Eight Macrocycles Using a Preorganized Natural Product‐Based Scaffold Abstract Chiral D 2 ‐symmetric figure‐eight shaped macrocycles are promising scaffolds for amplifying the chiroptical properties of π‐conjugated systems. By harnessing the inherent and adaptable conformational dynamics of a chiral C 2 ‐symmetric bispyrrolidinoindoline (BPI) manifold, we developed an enantio‐divergent modular synthetic platform to rapidly generate a diverse range of chiral macrocycles, spanning from 14‐ to 66‐membered rings, eliminating the need for optical resolution. Notably, a 32‐membered figure‐eight macrocycle showed excellent circularly polarized luminescence (CPL: | g lum |=1.1×10 −2 ) complemented by a robust emission quantum yield (Φ fl =0.74), to achieve outstanding CPL brightness ( B CPL : ϵ ×Φ fl ×| g lum |/2=480). Using quadruple Sonogashira couplings, this versatile synthetic platform enables precise adjustments of the angle, distance, and length among intersecting π‐conjugated chromophores. Our synthetic strategy offers a streamlined and systematic approach to significantly enhance B CPL values for a variety of chiral D 2 ‐symmetric figure‐eight macrocycles. Natural product ; Scaffold ; Combinatorial chemistry ; Chemistry ; Materials science ; Organic chemistry ; Computer science ; Programming language Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials ; Organoboron and organosilicon chemistry
Authors: Chetan Kumar DS | B Gowthami | V Pavani Naga Durga
Source: International Journal of Advanced Biochemistry Research (review, 2024-01-01)
Field: Materials Science — Biomaterials

Transgenic silkworms producing functionalized silk with medical applications: A comprehensive review Silk, traditionally prized for its biocompatibility, strength, and versatility, has gained significant attention in the field of biomedical applications. Recent advancements in genetic engineering have led to the development of transgenic silkworms capable of producing functionalized silk with enhanced properties, making it suitable for a variety of medical applications. These innovations leverage the unique ability of silkworms to spin silk fibers and modify the protein structure to incorporate functional biomolecules such as antimicrobial peptides, growth factors, and anticancer agents. This review explores the state-of-the-art progress in creating transgenic silkworms that produce functionalized silk for medical applications. We focus on the genetic modifications that enable these advancements, the properties of the resulting silk, and the potential uses in wound healing, drug delivery, tissue engineering, and regenerative medicine. Furthermore, challenges related to scalability, safety, and regulatory approval are discussed, along with future directions for further development in this promising field. SILK ; Transgene ; Biotechnology ; Biology ; Engineering ; Genetics Silk-based biomaterials and applications ; Viral Infectious Diseases and Gene Expression in Insects ; Insect Utilization and Effects
Authors: Charlène Brissaud | Wajdi Chaâbani | Jesús Giráldez‐Martínez | Meyssa Mockbel | Eva Yazmin Santiago | Jaime Gabriel Trazo | Stéphanie Lau‐Truong | Gaëlle Blond | Marco Faustini | Cyrille Hamon | Lucas V. Besteiro | Jean‐Yves Piquemal | Miguel Comesaña‐Hermo
Source: ChemRxiv (preprint, 2024-12-08)
Field: Materials Science — Materials Chemistry

Faceted 3D Supercrystals for Plasmonic Photocatalysis: Design, Reactivity and Operando Studies Solar-driven plasmonic photocatalysis has emerged as a powerful tool to enhance chemical reactivity, improving the efficiency and selectivity in a large number of transformations. Plasmonic nanoparticles are often implemented in photocatalysis as colloidal dispersions but they face issues related to the reduced photoactivation of the metallic surface in concentrated solutions and poor long-term colloidal stability. To overcome these limitations, we introduce 3D plasmonic supercrystals created through the depletion- and evaporation-induced self-assembly of metal nanoparticles as novel heterogeneous plasmonic photocatalysts. They present large electromagnetic field enhancements associated to the formation of regular arrays of plasmonic hot spots, leading to improved chemical reactivities through the generation of hot charge carriers. To demonstrate this, we chose two challenging organic transformations, an oxidative polymerization and different C‒C cross-coupling reactions, that can be activated by modifying the chemical composition of the assemblies. Interestingly, the anisotropic shapes of the building blocks lead to the formation of 3D supercrystals exposing different crystalline facets. Importantly, by performing operando Surface-Enhanced Raman Spectroscopy at the single supercrystal level, we unveil the face-dependent reactivity of each individual plasmonic superstructure. Our combined experimental and theoretical approach provides with key insights into structure-function correlations and offers guidelines for the rational design of versatile supercrystal photocatalysts. Photocatalysis ; Reactivity (psychology) ; Plasmon ; Materials science ; Nanotechnology ; Environmental science ; Chemistry ; Optoelectronics ; Catalysis ; Organic chemistry ; Medicine Copper-based nanomaterials and applications ; Quantum Dots Synthesis And Properties ; Advanced Photocatalysis Techniques
Authors: Tian Xie | Erhong Song
Source: Journal of Inorganic Materials (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Effect of Elastic Strains on Adsorption Energy of C, H and O on Transition Metals Oxides Platinum (Pt)-based noble metal catalysts (PGMs) are the most widely used commercial catalysts, but they have the problems of high cost, low reserves, and susceptibility to small-molecule toxicity.Transition metal oxides (TMOs) are regarded as potential substitutes for PGMs because of their stability in oxidizing environments and excellent catalytic performance.In this study, comprehensive investigation into the influence of elastic strains on the adsorption energies of carbon (C), hydrogen (H) and oxygen (O) on TMOs was conducted.Based on density functional theory (DFT) calculations, these effects in both tetragonal structures (PtO 2 , PdO 2 ) and hexagonal structures (ZnO, CdO), along with their respective transition metals were systematically explored.It was identified that the optimal adsorption sites on metal oxides pinpointed the top of oxygen or the top of metal atom, while face-centered cubic (FCC) and hexagonal close-packed (HCP) holes were preferred for the transition metals.Furthermore, under the influence of elastic strains, the results demonstrated significant disparities in the adsorption energies of H and O between oxides and transition metals.Despite these differences, the effect of elastic strains on the adsorption energies of C, H and O on TMOs mirrored those on transition metals: adsorption energies increased under compressive strains, indicating weaker adsorption, and decreased under tension strains, indicating stronger adsorption.This behavior was rationalized based on the d-band model for adsorption atop a metallic atom or the p-band model for adsorption atop an oxygen atom.Consequently, elastic strains present a promising avenue for tailoring the catalytic properties of TMOs. Adsorption ; Transition metal ; Materials science ; Chemical engineering ; Metallurgy ; Chemistry ; Physical chemistry ; Catalysis ; Organic chemistry ; Engineering Catalytic Processes in Materials Science ; Industrial Gas Emission Control
Authors: M. Gál | Samantha K. Samaniego Andrade | Anna Fehér | Attila Farkas | János Madarász | Lili Horváth | Péter Gordon | Róbert Kovács | Krisztina László
Source: Journal of Thermal Analysis and Calorimetry (article, 2024-04-03)
Field: Chemistry — Inorganic Chemistry

Thermal diffusity in copper benzene-1,3,5-tricarboxylate–reduced graphite oxide mechanical composites Abstract Metal organic frameworks (MOFs) and particularly copper benzene-1,3,5-tricarboxylate (HKUST-1) are excellent materials for gas storage (e.g., CH 4 , N 2 , H 2 adsorption) and gas separation. In this work, reduced graphene oxide (RGO)–HKUST-1 mechanical mixtures were studied in order to reveal the effect of RGO content on the pressure tolerance of the texture and heat conductivity. HKUST-1 was obtained by two different synthesis routes. Air-dried MOF and RGO were thoroughly mixed prior to the compression. Powder XRD and Raman spectroscopy were used to characterize the response of the crystal structure, while low-temperature nitrogen adsorption was used the follow the adsorption properties of the pellets. Finally, the "flash" heat pulse method was used to assess the thermal properties. The gas adsorption isotherms revealed that the adsorption capacity decreases when RGO is added. Based on Raman and XRD results, we found that the synthesis route has an effect on multiple scales. We experimentally confirmed that evaluation of the thermal diffusivity requires a model more complex than the simple Fourier equation, due to the inherent heterogeneous structure of the material. A good approximation of the Fourier coefficient of thermal diffusivity was obtained using the parameters of the Guyer–Krumhansl equation. The heat pulse experiments also revealed possible size-dependent behavior. Thermal diffusivity ; Materials science ; Adsorption ; Thermal conductivity ; Graphite oxide ; Laser flash analysis ; Graphene ; Raman spectroscopy ; Graphite ; Copper ; Metal-organic framework ; Oxide ; Composite material ; Chemical engineering ; Analytical Chemistry (journal) ; Physical chemistry ; Thermodynamics ; Chemistry ; Organic chemistry ; Nanotechnology ; Metallurgy Metal-Organic Frameworks: Synthesis and Applications ; Crystallography and molecular interactions ; Phase Equilibria and Thermodynamics
Authors: Yadi Mulyadi Rohman | Dendin Supriadi | Sufiyah Assegaf | Hasniah Aliah | Siska Solehah | Rahma Syifa
Source: Acta Electronica Malaysia (article, 2024-10-02)
Field: Materials Science — Biomaterials

A CONDUCTIVE NANOFIBER PVA/ZNO USING ELECTROSPINNING PROCESS AND ITS POTENTIALLY FOR EDIBLE ELECTRONIC Electrospun nanofibers have been widely used for various applications. PVA/ZnO nanofiber composites have been successfully fabricated and their electrical properties have been tested. The purpose of this research is to investigate the potential of these nanofiber composites as edible electronic materials based on their conductivity. In this experiment, we used commercially available Polyvinyl Alcohol (PVA) and ZnO technical quality. The composites were prepared by mixing PVA and ZnO at weight per volume (w/v) concentrations. Nanofiber fabrication was carried out using the electrospinning technique with high voltage at 14 kV, a flow rate of 2 mL/hour, and humidity around 50%. The PVA/ZnO nanofibers were characterized using a digital microscope, Scanning Electron Microscope to observe surface morphology and diameter of nanofiber, and conductivity measurements were conducted to assess electrical conductivity. The results showed that optimum nanofibers were formed with a 10% concentration and varying ZnO have an average diameter size of 225 ± 0.5 nm. The addition of ZnO to PVA nanofibers enhances their electrical characteristics. The electrical conductivity of PVA/ZnO nanofibers increases with the addition of ZnO. The highest AC conductivity of PVA/ZnO nanofibers is 315 μS.m-2 at a concentration of 5 mg (w/v). This indicates that PVA/ZnO has good enough conductivity to be used in electronic devices. The PVA/ZnO nanofiber has a small diameter due to its viscosity, surface tension, and good molecular weight, making it capable of being drawn by electrospinning. ZnO is chosen for its ready availability and good conductivity properties. Therefore, the combination of these two materials enhances the conductivity characteristics of the nanofibers. Electrospinning ; Nanofiber ; Materials science ; Electrical conductor ; Process (computing) ; Nanotechnology ; Composite material ; Polymer ; Computer science Electrospun Nanofibers in Biomedical Applications
Authors: Sameer Prajapati
Source: Vidhyayana (article, 2024-12-01)
Field: Materials Science — Materials Chemistry

Study of Dielectric and Electric Properties of BaTiO₃ Composites Doped with Varying Concentrations of Silicon Barium Titanate (BaTiO₃) is a ferroelectric material with diverse applications in capacitors, actuators, and sensors. The introduction of silicon (Si) as a dopant provides a novel pathway to tailor its electrical, dielectric, and structural properties for specific industrial needs. This study investigates the effects of varying Si concentrations (1%, 5%, and 10%, by weight) on BaTiO₃, focusing on dielectric constant, dielectric loss, AC conductivity, and structural changes. Measurements are performed across a range of frequencies (1 kHz to 1 MHz) and temperatures (25°C to 40°C). The findings reveal a significant dependency of electrical properties on Si concentration and operating conditions, highlighting optimal doping levels for specific applications. This paper synthesizes these results, providing insights for material optimization. The advent of advanced functional materials has propelled the exploration of dielectric ceramics such as barium titanate (BaTiO3), which exhibit exceptional properties suitable for electronic applications. Measurements of dielectric constant, dielectric loss, and AC conductivity were conducted over a wide frequency range (1 kHz to1 MHz) and at various temperatures (25°C, 30°C, 35°C, and 40°C). The findings reveal that Si doping significantly modifies the dielectric behaviour of BaTiO3. At lower Si concentrations, the dielectric constant increased due to enhanced polarization arising from improved lattice distortions and defect interactions. As the Si concentration increased further, a saturation effect was observed, indicating a limit to the beneficial impact of doping. Dielectric loss decreased with moderate Si doping, suggesting reduced energy dissipation, but increased slightly at higher concentrations, likely due to the formation of secondary phases. Similarly, AC conductivity demonstrated distinct frequency dependence, with conduction mechanisms strongly influenced by Si content and thermal activation at different temperatures. Dielectric ; Materials science ; Composite material ; Doping ; Silicon ; Optoelectronics Ferroelectric and Piezoelectric Materials ; Dielectric materials and actuators ; Nanotechnology research and applications
Authors: Jyoti | Suman Devi | Vikram Kumar | Deepak Wadhwa
Source: Asian Journal of Chemistry (article, 2024-03-30)
Field: Chemistry — Organic Chemistry

Design, Development and Molecular Docking Studies of C-2 Sulfenylated Benzofurans: Potential Interleukin 1-β Antagonist An environmental friendly methodology for C-2 sulfenylation of benzofurans through dehydrogenative cross-coupling has been developed. Sulfenylation at second position is carried out using commercially available thiols in presence of molecular iodine and DMSO. The reaction accommodates wide spectrum of electronically diverse substituents on thiophenol ring. This process offers diverse advantages, including greener reaction conditions, moderate to good percentage yields, easy workup, no additional metal catalysts requirement and gram scale synthesis. Molecular docking studies is also conducted to substantiate interleukin 1-β antagonist nature of the designed compounds. Chemistry ; Docking (animal) ; Antagonist ; Combinatorial chemistry ; Stereochemistry ; Computational biology ; Biochemistry ; Receptor Synthesis and biological activity ; Synthesis and Characterization of Heterocyclic Compounds ; Synthesis of heterocyclic compounds
Authors: Mathilde Auxois | Marine Minière | Chloé Bertrand-Drira | Fabien Salvatori | Jan Verstraete | Sébastien Manneville | Thibaut Divoux
Source: Physical Review Materials (article, 2024-06-24)
Field: Materials Science — Ceramics and Composites

Textural properties of dense granular pastes produced by kneading The efficiency of supported catalysts depends on the porous microstructure of their solid support, which regulates mass transfer, exposure to the active phase, and mechanical strength. Here, we focus on the manufacturing of a specific type of catalytic support, $\ensuremath{\gamma}$-alumina extrudates, by a kneading-extrusion process. In this process, a paste is initially formed by blending and subsequently kneading a boehmite powder, an aluminum oxide hydroxide precursor of $\ensuremath{\gamma}$-alumina, with various liquids before undergoing extrusion. The crucial step in this process is the kneading step, which allows control over the textural and mechanical properties of the extrudate. The present experimental study aims to measure the impact of the kneading step on boehmite pastes prepared using a pilot kneader. The pastes are obtained by mixing boehmite powder subsequently with an acid and a basic solution in a two-step process known as peptization and neutralization. In this study, kneading is conducted at various mixing speeds and durations while monitoring the torque exerted by the boehmite paste on the kneader blades. Moreover, samples are extracted from the pilot kneader at various stages of the kneading process, and their textural properties are determined by both nitrogen sorption and mercury intrusion porosimetry. Our findings show that, at fixed composition, the textural properties of boehmite pastes are controlled by the overall deformation accumulated during kneading. Conversely, for a fixed accumulated deformation, the pH sets the textural properties. Finally, we identify an empirical control parameter that captures the combined effects of pH and accumulated deformation on the key textural attributes of boehmite pastes. These results set the stage for a systematic design approach of boehmite-based catalyst supports. Boehmite ; Materials science ; Extrusion ; Porosity ; Peptization ; Mixing (physics) ; Porosimetry ; Composite material ; Microstructure ; Rheology ; Chemical engineering ; Aluminium ; Porous medium ; Nanotechnology Advanced ceramic materials synthesis ; Bone Tissue Engineering Materials ; Pickering emulsions and particle stabilization