jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jorge Trilleras | Andrés Charris‐Molina | Alfredo Pérez‐Gamboa | Paola Acosta‐Guzmán | Jairo Quiroga
Source: Royal Society Open Science (article, 2024-03-01)
Field: Chemistry — Organic Chemistry

Synthesis of pyrimido[4,5- <i>b</i> ]quinolindiones and formylation: ultrasonically assisted reactions Ultrasound-assisted synthesis of pyrimido‌quinolindione derivatives via a multicomponent reaction and subsequent formylation with Vilsmeier-Haack reagent were performed. Compounds were prepared by a one-pot method from aminopyrimidinones, dimedone and aromatic aldehydes through a Mannich-type reaction sequence, and then functionalized under ultrasound irradiation and Vilsmeier-Haack conditions to give β-chlorovinylaldehyde products. Ultrasonically assisted reactions, experimental simplicity, good yields without using metallic catalysts and the control of hazardous material release are features of this simple procedure. Formylation ; Chemistry ; Computer science ; Organic chemistry ; Catalysis Multicomponent Synthesis of Heterocycles ; Synthesis and Characterization of Heterocyclic Compounds ; Synthesis and Reactions of Organic Compounds
Authors: Gabriel G. Condurache | Ion Ciucă | Costel Iulian Mocanu
Source: Medicine and Materials (article, 2024-12-15)
Field: Materials Science — Biomaterials

NANOTECHNOLOGY IN UROLOGY, A NEW HORIZON IN REGENERATIVE AND ONCOLOGICAL TREATMENTS Nanobiomaterials have opened new horizons in urology, offering innovative solutions for regenerative and oncological treatments. These materials, due to their unique properties such as nanometer dimensions, biocompatibility, and functionalization capacity, have the potential to significantly improve the efficiency and precision of clinical interventions. In urological regeneration, nanostructures are used to design scaffolds that facilitate cell proliferation and tissue reconstruction, being applied in defects of the bladder, urethra, and kidney tissue. Also, in urological oncology, nano-biomaterials play a central role in targeted drug delivery, photothermal, and photodynamic therapy, as well as in early diagnosis through advanced imaging. However, the use of nanomaterials comes with significant challenges. Technical aspects include stability in the biological environment and limitations in synthesis and functionalization. Clinically, adverse reactions and toxicity require increased attention, and the scalability of production is a major barrier to widespread application. Also, the high costs and ethical concerns related to the use of nanotechnology in medicine limit the accessibility of these innovations. Despite these challenges, continued advances in research promise to completely transform urology, paving the way for personalized and more effective treatments. Regenerative medicine ; Horizon ; Urology ; Medicine ; Physics ; Biology ; Astronomy ; Cell biology ; Stem cell Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Graphene and Nanomaterials Applications
Authors: Karthika K. Thilakan | Fernand Denoel | Yu-Chin Huang | Óscar Fabelo | R. Mathieu | Cesar Pay Gómez | Martin Sahlberg
Source: Journal of Alloys and Compounds (article, 2024-06-19)
Field: Materials Science — Materials Chemistry

Single-crystal neutron diffraction study on the Ho13.6Au61.1Al25.3 quasicrystal approximant A single-crystal neutron diffraction study was conducted on a Ho13.6Au61.1Al25.3 Tsai-type quasicrystal approximant synthesised by the self-flux method. The magnetisation measurements reveal a ferrimagnetic behaviour with a transition below 6 K. In agreement with the magnetometry data, a non-coplanar whirling spin order in the icosahedral clusters around the crystallographic [1 1 1] direction with a ferrimagnetic arrangement was observed from single-crystal neutron diffraction measurements below 5.5 K. The magnetic structure of Ho13.6Au61.1Al25.3 is compared to the previously published magnetic structures of related RE-Au-SM (RE = Tb and Ho; SM = Al, Si and Ga) systems. Quasicrystal ; Neutron diffraction ; Diffraction ; Materials science ; Crystallography ; Icosahedral symmetry ; Crystal structure ; Physics ; Chemistry ; Optics Quasicrystal Structures and Properties ; X-ray Diffraction in Crystallography ; Rare-earth and actinide compounds
Authors: Hetvi Triboandas | Mariana Bezerra | Juan Almeida | Matheus Campos Castro | Bianca Aloise Maneira Corrêa Santos | Walkiria Schlindwein
Source: International Journal of Pharmaceutics X (article, 2024-11-26)
Field: Materials Science — Materials Chemistry

Optimizing extrusion processes and understanding conformational changes in itraconazole amorphous solid dispersions using in-line UV–Vis spectroscopy and QbD principles This paper presents a comprehensive investigation of the manufacturing of itraconazole (ITZ) amorphous solid dispersions (ASDs) with Kolllidon® VA64 (KVA64) using hot-melt extrusion (HME) and in-line process monitoring, employing a Quality by Design (QbD) approach. A sequential Design of Experiments (DoE) strategy was utilized to optimize the manufacturing process, with in-line UV-Vis spectroscopy providing real-time monitoring. The first DoE used a fractional factorial screening design to evaluate critical process parameters (CPPs), revealing that ITZ concentration had the most significant impact on the product quality attributes. The second DoE, employing a central composite design, explored the interactions between feed rate and screw speed, using torque and absorbance at 370 nm as responses to develop a design space. Validation studies confirmed process robustness across multiple days, with stable in-line UV-Vis spectra and consistent product quality using 30 % ITZ, 300 rpm, 150 °C and 7 g/min as the optimized process conditions. Theoretical and experimental analyses indicated that shifts in UV-Vis spectra at different ITZ concentrations were due to conformational changes in ITZ, which were confirmed through density functional theory (DFT) calculations and infrared spectroscopy. This work offers novel insights into the production and monitoring of ITZ-KVA64-ASDs, demonstrating that in-line UV-Vis spectroscopy is a powerful tool for real-time process monitoring and/or control. Extrusion ; Amorphous solid ; Spectroscopy ; Itraconazole ; Materials science ; Ultraviolet visible spectroscopy ; Chemical engineering ; Chemistry ; Organic chemistry ; Composite material ; Engineering ; Physics ; Dermatology ; Antifungal Crystallization and Solubility Studies ; Drug Solubulity and Delivery Systems ; Dyeing and Modifying Textile Fibers
Authors: Laura Barnaud | Solène Fukuhara | Mateo Pava | M.F. Carrasco | Anna Aviñó | Ramón Eritja | Carlos Rodríguez‐Abreu | Santiago Grijalvo
Source: Reactive and Functional Polymers (article, 2024-06-06)
Field: Materials Science — Biomaterials

Surface decoration of PLGA nanoparticles enables efficient transport of floxuridine oligomers into mammalian cells PLGA ; Covalent bond ; Internalization ; Nanoparticle ; Chemistry ; Nanotechnology ; Floxuridine ; Carbodiimide ; Biophysics ; Surface charge ; Materials science ; Cell ; Biochemistry ; Organic chemistry ; Cancer Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Advanced biosensing and bioanalysis techniques
Authors: Gangli Yang | Tailong Shi | Chang Liu | Hongjia Zhu | Dongyu Tong | Wending Yang | Zeyuan Li | Liyi Li
Source: Micromachines (article, 2024-11-14)
Field: Materials Science — Materials Chemistry

A Study on Regulating the Residual Stress of Electroplated Cu by Manipulating the Nanotwin Directions Glass substrate, a new type of substrate with excellent mechanical and electrical properties of glass itself, has great potential to become an ideal platform for heterogeneous integration in chiplet systems for high-performance computing applications. The residual stress of the metal layer generated on the glass surface during the electroplating process is one of the major bottlenecks of glass packaging technologies, resulting in glass-metal layer delamination and glass breakage. This paper demonstrated for the first time a method to regulate the residual stress by manipulating the nanotwin directions of the electroplated Cu. The experimental results show that nanotwins with three different directions (non-directional, vertical, and horizontal) can be manipulated by controlling electroplating conditions (concentration of Cl<sup>-</sup> and gelatin, stirring speed). The orientations of non-directional, vertical, and horizontal nanotwinned Cu are non-oriented, 110 and 111, respectively. After electroplating, the 111-oriented nanotwinned Cu has the smallest residual stress (39.7 MPa). Annealing can significantly reduce the residual stress of nanotwinned Cu, which has been attributed to the decrease in the geometric necessity dislocation density. 110-oriented nanotwinned Cu had drastic recrystallization, while 111-oriented nanotwinned Cu and non-oriented nanotwinned Cu had only slight recrystallization. After annealing, the residual stress of 111-nt-Cu remains the lowest (29.1 MPa). Electroplating ; Residual stress ; Materials science ; Stress (linguistics) ; Engineering ; Structural engineering ; Geology ; Nanotechnology ; Metallurgy ; Layer (electronics) Microstructure and mechanical properties ; Aluminum Alloys Composites Properties ; Metal and Thin Film Mechanics
Authors: Zhiliang Chai | Lili Liu | Congcong Liang | Yan Liu | Qiang Wang
Source: Molecules (article, 2024-10-06)
Field: Materials Science — Materials Chemistry

Insight into the Reversible Hydrogen Storage of Titanium-Decorated Boron-Doped C20 Fullerene: A Theoretical Prediction Hydrogen storage has been a bottleneck factor for the application of hydrogen energy. Hydrogen storage capacity for titanium-decorated boron-doped C<sub>20</sub> fullerenes has been investigated using the density functional theory. Different boron-doped C<sub>20</sub> fullerene absorbents are examined to avoid titanium atom clustering. According to our research, with three carbon atoms in the pentagonal ring replaced by boron atoms, the binding interaction between the Ti atom and C<sub>20</sub> fullerene is stronger than the cohesive energy of titanium. The calculated results revealed that one Ti atom can reversibly adsorb four H<sub>2</sub> molecules with an average adsorption energy of -1.52 eV and an average desorption temperature of 522.5 K. The stability of the best absorbent structure with a gravimetric density of 4.68 wt% has been confirmed by ab initio molecular dynamics simulations. These findings suggest that titanium-decorated boron-doped C<sub>20</sub> fullerenes could be considered as a potential candidate for hydrogen storage devices. Hydrogen storage ; Fullerene ; Materials science ; Titanium ; Boron ; Density functional theory ; Hydrogen ; Atom (system on chip) ; Chemical physics ; Doping ; Adsorption ; Physical chemistry ; Computational chemistry ; Chemistry ; Organic chemistry ; Metallurgy Hydrogen Storage and Materials ; Boron and Carbon Nanomaterials Research ; Fullerene Chemistry and Applications
Authors: Ivan Marinović | Ivan Škalic
Source: Electronics (article, 2024-12-25)
Field: Materials Science — Materials Chemistry

Improving Efficiency of AB-Class Audio Power Amplifier Using Thermoelectric Generators Since circuit-based solutions for increasing the efficiency of Class AB audio amplifiers have reached their peak, this article presents a non-circuit-based approach for the same purpose. The output transistors of this class of amplifiers dissipate a significant amount of thermal energy, resulting in relatively low amplifier efficiency and requiring the transistors to be mounted on large heatsinks. This study was conducted with the aim of capturing the waste heat energy dissipated by the output transistors and converting it into electrical energy using thermoelectric generators (TEGs), which can then be used to increase the efficiency of the amplifier system. In addition to improving efficiency, this study aims to determine the extent to which heatsinks with smaller dimensions can be used in combination with the amplifier through the use of TEGs, potentially leading to a wider commercial application of Class AB audio amplifiers. The experimental results show that the thermoelectric conversion efficiency of TEGs reached 1.097% in the best case, indicating a potential increase of 0.275% in the overall efficiency of the amplifier system. These results show that the low thermoelectric efficiency of TEGs is a limiting factor that prevents a breakthrough in improving the efficiency of the power amplifier system with the proposed non-circuit-based approach. Audio power amplifier ; Amplifier ; Thermoelectric generator ; Electrical engineering ; Class (philosophy) ; Power (physics) ; Electronic engineering ; RF power amplifier ; Thermoelectric effect ; Computer science ; Materials science ; Engineering ; Physics ; Artificial intelligence Advanced Thermoelectric Materials and Devices
Authors: Qiang Yue | T. Yokoya | Yuji Muraoka
Source: Diamond and Related Materials (article, 2024-02-05)
Field: Materials Science — Materials Chemistry

First-principles molecular dynamics simulations for the properties of boron-doped tetrahedral amorphous carbon Tetrahedron ; Molecular dynamics ; Boron ; Doping ; Amorphous carbon ; Amorphous solid ; Materials science ; Carbon fibers ; Chemical physics ; Nanotechnology ; Chemistry ; Physical chemistry ; Crystallography ; Computational chemistry ; Optoelectronics ; Composite material ; Organic chemistry Diamond and Carbon-based Materials Research ; Carbon Nanotubes in Composites ; Boron and Carbon Nanomaterials Research
Authors: P Jamuna | K R Vijayalatha | A. Nithya Devi | V. Jegadeeswari | R. Siva kumar | K. A. Geetha | IG Lakshmi | T. Uma Maheswari | T Anitha
Source: Plant Science Today (article, 2024-12-28)
Field: Materials Science — Biomaterials

Edible Coatings: Classification, applications and innovations in food preservation The health of every individual heavily depends on the consumption of fruits. Although fruits are exceptionally healthy, their perishable characteristics pose difficulties for prolonged storage. Ineffective post-harvest techniques can impede the supply chain, leading to considerable losses for producers. Therefore, there is an urgent need to reduce post-harvest losses to enhance agricultural productivity. Conventional post-harvest treatments involving synthetic chemicals are increasingly being recognized for their potential negative impacts on human health. In response, the use of bio-based edible coatings derived from plant materials is gaining significant attention and encouragement. Edible coatings effectively extend the shelf life of fruits by controlling oxidation, moisture loss, and gas exchange. Coatings enriched with bioactive materials create an additional protective layer that slows down respiration rates, thereby prolonging the freshness of the fruits. This review provides an abridged overview of edible coatings, discussing their applications and classifications, and concludes by emphasizing chitosan as one of the most effective compounds. Additionally, the review explores innovative materials and nanotechnology-based edible coatings, along with their application techniques for various fruits. These advancements aim to address supply chain challenges and enhance food security. Supply chain ; Agriculture ; Food supply ; Business ; Food security ; Human health ; Shelf life ; Productivity ; Biotechnology ; Environmental science ; Food science ; Medicine ; Biology ; Marketing ; Agricultural science ; Environmental health ; Economics Nanocomposite Films for Food Packaging ; Date Palm Research Studies
Authors: Gevin von Witte | Aaron Himmler | Viivi Hyppönen | Jiri Jäntti | Mohammed M. Albannay | Jani O. Moilanen | Matthias Ernst | Vesa‐Pekka Lehto | Joakim Riikonen | Sebastian Kozerke | Mikko I. Kettunen | Konstantin Tamarov
Source: Nanoscale (article, 2024-01-01)
Field: Chemistry — Spectroscopy

Controlled synthesis and characterization of porous silicon nanoparticles for dynamic nuclear polarization Si nanoparticles (NPs) have been actively developed as a hyperpolarized magnetic resonance imaging (MRI) contrast agent with an imaging window close to one hour. However, the progress in the development of NPs has been hampered by the incomplete understanding of their structural properties that correspond to efficient hyperpolarization buildup and long polarization decays. In this work we study dynamic nuclear polarization (DNP) of single crystal porous Si (PSi) NPs with defined doping densities ranging from nominally undoped to highly doped with boron or phosphorus. To develop such PSi NPs we perform low-load metal-assisted catalytic etching for electronic grade Si powder followed by thermal oxidation to form the dangling bonds in the Si/SiO<sub>2</sub> interface, the <i>P</i><sub>b</sub> centers. <i>P</i><sub>b</sub> centers are the endogenous source of the unpaired electron spins necessary for DNP. The controlled fabrication and oxidation procedures allow us to thoroughly investigate the impact of the magnetic field, temperature and doping on the DNP process. We argue that the buildup and decay rate constants are independent of size of Si crystals between approximately 10 and 60 nm. Instead, the rates are limited by the polarization transfer across the nuclear spin diffusion barrier determined by the large hyperfine shift of the central <sup>29</sup>Si nuclei of the <i>P</i><sub>b</sub> centers. The size-independent rates are then weakly affected by the doping degree for low and moderately doped Si although slight doping is required to achieve the highest polarization. Thus, we find the room temperature relaxation of low boron doped PSi NPs reaching 75 ± 3 minutes and nuclear polarization levels exceeding ∼6% when polarized at 6.7 T and 1.4 K. Our study thus establishes solid grounds for further development of Si NPs as hyperpolarized contrast agents. Porous silicon ; Characterization (materials science) ; Materials science ; Polarization (electrochemistry) ; Nanotechnology ; Nanoparticle ; Silicon ; Porosity ; Porous medium ; Chemical engineering ; Optoelectronics ; Chemistry ; Composite material ; Engineering ; Physical chemistry Advanced NMR Techniques and Applications ; Solid-state spectroscopy and crystallography ; Electron Spin Resonance Studies
Authors: Indah Salsabila | Khairan Khairan | Pati Kemala | Ghifari Maulana Idroes | Nadia Isnaini | Nur Balqis Maulydia | Mohamed El‐Shazly | Rinaldi Idroes
Source: Malacca Pharmaceutics (article, 2024-09-01)
Field: Materials Science — Biomaterials

Hybrid Handwash with Silver Nanoparticles from Calotropis gigantea Leaves and Patchouli Oil: Development and Properties When washing hands, handwashing is one way to prevent diseases caused by bacteria such as Staphylococcus aureus and Escherichia coli, the most common bacteria that can cause infections. The production of handwash utilizing silver nanoparticles as an active antibacterial agent remains a relatively infrequent practice. The synthesis of silver nanoparticles from the leaves of Calotropis gigantea, which grows in the geothermal area of Ie Seu-um Aceh Besar, has been carried out using the green synthesis method and hybrid green synthesis with patchouli oil. Handwash with active ingredients such as silver nanoparticles was successfully formulated, evaluated, and tested against S. aureus and E. coli. The organoleptic characteristics, pH, viscosity, foam height measurements, density, irritation, and antibacterial activity against S. aureus and E. coli were evaluated. The results showed that the organoleptic properties of the handwash with silver nanoparticles were not changed during a 30-day storage period, with pH values in the range of 9.7-10.3, and did not cause irritation upon using silver nanoparticle handwash. The best formula for handwashing with silver nanoparticles in inhibiting the growth of S. aureus and E. coli bacteria was F2, with inhibition zones of 12.9 ± 2.85 mm and 10.95 ± 0.8 mm, respectively. The formulated handwash with silver nanoparticles met the requirements of good liquid soap according to the Indonesian National Standard (SNI) with potent antibacterial activity. Patchouli ; Silver nanoparticle ; Essential oil ; Chemistry ; Botany ; Biology ; Nanoparticle ; Materials science ; Nanotechnology Phytochemistry and Bioactive Compounds ; Morinda citrifolia extract uses ; Essential Oils and Antimicrobial Activity
Authors: Alina Bărbulescu | DUMITRIU C.S.
Source: Romanian Journal of Physics (article, 2024-07-15)
Field: Materials Science — Materials Chemistry

About the Long-Range Dependence of Cavitation Effect on a Copper Alloy Damages produced by cavitation on the materials under their action must be carefully monitored to determine the material's mass loss and changes in its properties. Moreover, describing the process evolution is important for practical applications related to the failure of components made of a certain material. In this context, this article investigates the long-range dependence of the mass loss of a copper alloy sample under ultrasound cavitation. Cavitation ; Copper ; Alloy ; Context (archaeology) ; Physics ; Copper alloy ; Range (aeronautics) ; Action (physics) ; Mechanics ; Metallurgy ; Composite material ; Materials science Metallurgy and Material Science ; Aluminum Alloy Microstructure Properties ; Metallurgical Processes and Thermodynamics
Authors: Shohei Tsukada | Shoko Miura | T. Fujita | Konatsu Saito‐Murakami | Yoshiki Imamura | K. Asami | Masanori Fujisawa
Source: Asian Pacific Journal of Dentistry (article, 2024-01-01)
Field: Chemistry — Inorganic Chemistry

Effect of transparency and abutment tooth color on the final color of shade-gradient zirconia crowns Purpose: This study aimed to compare the effects of two different color shades (A2, A3) and thicknesses of translucent zirconia materials on translucency and to compare the masking ability of these materials on different colored abutment teeth (dentin, resin, and metal). Transparency (behavior) ; Abutment ; Cubic zirconia ; Materials science ; Dentistry ; Composite material ; Computer science ; Engineering ; Structural engineering ; Medicine ; Ceramic Pigment Synthesis and Properties