jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Gedefaw Mebratie | Tamiru Negussie | Gebregziabher Kahsay
Source: Nano Select (review, 2024-11-19)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Synthesis, Characterization, and Measurement of New 1144‐Type Iron‐Based Superconductors: A Systematic Review ABSTRACT The newly discovered 1144‐type iron‐based superconductors (FeBSCs) are hybrids of the same two 122‐type structures. The novel 1144‐type FeBSCs were synthesized with a superconducting transition temperature ranging from 31 to 37 K. This study systematically investigates the current findings and future possibilities of EuRbFe 4 As 4 , EuCsFe 4 As 4 , CaRbFe 4 As 4 , and CaKFe 4 As 4 FeBSCs since they have high upper critical magnetic field, high critical current density and low anisotropy, strong vortex pinning properties. The current review article gives a brief explanation on the crystal structure, electronic structure, band gap, magnetic properties, superconductivity, pairing mechanism, synthesis methods, characterization, and measuring mechanisms of the selected novel 1144‐type FeBSCs. Characterization (materials science) ; Superconductivity ; Materials science ; Nanotechnology ; Physics ; Condensed matter physics Iron-based superconductors research ; Superconductivity in MgB2 and Alloys ; Rare-earth and actinide compounds
Authors: Phan Anh Duong | Bo Rim Ryu | Jinwon Jung | Sang Mok Lee | Kyoung-Kuk Yoon | Hokeun Kang
Source: International Journal of Energy Research (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

A Novel Designation of Solid Oxide Fuel Cell‐Integrated System Using LPG as Fuel for Marine Vessels This research showcases the seamless integration of solid oxide fuel cells (SOFC) with waste heat recovery systems, utilizing liquefied petroleum gas (LPG) as the primary fuel source. The focus of the study is on efficiently harnessing the cold energy from the LPG supply to produce substantial power for the entire system. To optimize energy utilization, a gas turbine (GT) and steam Rankine cycle (SRC) are integrated to effectively convert waste heat from the system into useful work and power. Additionally, a waste heat boiler (WHB) is incorporated to provide superheated vapor steam for seafarer accommodation. A detailed thermodynamic analysis and investigation of the proposed integrated system are performed. The simulations and optimizations of combined system are conducted using ASPEN HYSYS V12.1. Thermodynamic equations based on the fundamental laws of thermodynamics are employed to estimate system performance indicators, and the exergy destruction in major components is assessed to optimize the system’s design and operation. The proposed system exhibits impressive energy and exergy efficiencies, calculated at 52.65% and 51.10%, respectively. Moreover, the waste heat recovery combined cycles contribute an additional 1,759.73 kW, equivalent to 31.65% of the total system output. The innovative models are validated against experimental data from the literature, demonstrating strong agreement. Furthermore, a comprehensive parametric study investigates the influence of varying the current density from 900 to 1,950 A/m 2 , leading to a total energy efficiency variation of 41.59%, ranging from 82.45% to 40.86%. The organic Rankine cycle (ORC) performs exceptionally well, capitalizing on both cold energy and high‐temperature waste heat to achieve high energy recovery efficiency. The WHB is capable of providing 8,200 kg/h of superheated vapor stream at 151°C and 499 kPa for seafarer accommodation and heating purposes. The economic viability analysis is conducted to assess the potential for investment, maintenance costs, and the payback period associated with the proposed system. Solid oxide fuel cell ; Fuel cells ; Waste management ; Oxide ; Environmental science ; Chemical engineering ; Chemistry ; Materials science ; Engineering ; Metallurgy Advancements in Solid Oxide Fuel Cells ; Fuel Cells and Related Materials ; Thermal Expansion and Ionic Conductivity
Authors: Richard Schier | Daniel X. Guo | Holger‐Dietrich Saßnick | Caterina Cocchi
Source: Advanced Theory and Simulations (article, 2024-09-03)
Field: Materials Science — Materials Chemistry

Stability and Electronic Properties of K‐Sb and Na‐Sb Binary Crystals from High‐Throughput Ab Initio Calculations Abstract The study of the fundamental properties of alkali antimonide photocathodes for particle accelerators is currently hindered by the limited purity of the samples. First‐principles studies can effectively complement experiments to gain insight into the stability and the electronic structure of these compounds. In this high‐throughput analysis based on density‐functional theory (DFT), two families of binary crystals with K‐Sb and Na‐Sb compositions expected to form during evaporation of multi‐alkali antimonide photocathodes are investigated. Starting from an initial pool of structures mined from existing computational databases, automatized routines included in the in‐house developed library aim 2 dat are employed to determine the stability and the electronic properties of the aforementioned systems. By analyzing the formation energy, the structures are ranked in a convex hull retaining the information of their crystalline arrangement. Next, the band structure and the projected density of states of selected stable compounds are analyzed. Adopting the r 2 SCAN functional for the DFT calculations, reliable estimates of the character and size of the bandgaps are obtained and discussed in relation to the relative alkali content in the crystals. These results provide useful indications to predict and characterize binary phases forming during the growth of multi‐alkali antimonide photocathodes. Ab initio ; Binary number ; Throughput ; Materials science ; Antimony ; Ab initio quantum chemistry methods ; Stability (learning theory) ; Computational chemistry ; Crystallography ; Chemistry ; Physics ; Computer science ; Quantum mechanics ; Mathematics ; Metallurgy ; Molecule Solid-state spectroscopy and crystallography ; Advanced Semiconductor Detectors and Materials ; Advanced Chemical Physics Studies
Authors: Xiaoyu Fan | Jinhong Ye | Wan-Ling Zhong | Huijuan Shen | Huahua Li | Zhuyuan Liu | Jie Bai | Shouying Du
Source: International Journal of Molecular Sciences (review, 2024-11-22)
Field: Materials Science — Biomaterials

The Promoting Effect of Animal Bioactive Proteins and Peptide Components on Wound Healing: A Review The skin is the first line of defense to protect the host from external environmental damage. When the skin is damaged, the wound provides convenience for the invasion of external substances. The prolonged nonhealing of wounds can also lead to numerous subsequent complications, seriously affecting the quality of life of patients. To solve this problem, proteins and peptide components that promote wound healing have been discovered in animals, which can act on key pathways involved in wound healing, such as the PI3K/AKT, TGF-β, NF-κ B, and JAK/STAT pathways. So far, some formulations for topical drug delivery have been developed, including hydrogels, microneedles, and electrospinning nanofibers. In addition, some high-performance dressings have been utilized, which also have great potential in wound healing. Here, research progress on the promotion of wound healing by animal-derived proteins and peptide components is summarized, and future research directions are discussed. Wound healing ; Skin repair ; Medicine ; Pharmacology ; Surgery Silk-based biomaterials and applications ; Wound Healing and Treatments ; Antimicrobial Peptides and Activities
Authors: Lihao Zhang | Miao He | Yunxin Wang | Haodong Zhang | Keying Han | Yonglai Liu | Lei Zhang | Yingchun Cheng | Jie Pan | Zhe Qu | Zhe Wang
Source: Journal of Physics D Applied Physics (article, 2024-12-31)
Field: Materials Science — Materials Chemistry

Bias voltage controlled inversions of tunneling magnetoresistance in van der Waals heterostructures Fe<sub>3</sub>GaTe<sub>2</sub>/hBN/Fe<sub>3</sub>GaTe<sub>2</sub> Abstract We report the bias voltage-controlled inversions of tunneling magnetoresistance (TMR) in magnetic tunnel junctions composed of Fe 3 GaTe 2 electrodes and hBN tunneling barrier, observed at room temperature. The polarity reversal of TMR occurs consistently at around 0.625 V across multiple devices and temperatures, highlighting the robustness of the effect. To understand this behavior, we developed a theoretical model incorporating spin-resolved density of states (DOS) at high energy levels. By adjusting the DOS weighting at different k-points to account for misalignment between the crystal structure of electrodes in experimental devices, we improved agreement between experimental and theoretical inversion voltages. Our results provide valuable insight into the voltage-controlled spin injection and detection in two-dimensional magnetic tunnel junctions, with implications for the development of energy-efficient spintronic devices. Quantum tunnelling ; Heterojunction ; Gate voltage ; Magnetoresistance ; Condensed matter physics ; van der Waals force ; Materials science ; Voltage ; Optoelectronics ; Physics ; Transistor ; Quantum mechanics ; Magnetic field 2D Materials and Applications ; Iron-based superconductors research ; Graphene research and applications
Authors: Arpita Roy | Subhendu Dhibar | Saurav Kumar | Kripasindhu Karmakar | Parul Garg | Pradip Ruidas | Subham Bhattacharjee | Ashok Bera | Bidyut Saha | Soumya Jyoti Ray
Source: Scientific Reports (article, 2024-11-06)
Field: Materials Science — Biomaterials

A semiconducting supramolecular Co(II)-metallogel based resistive random access memory (RRAM) design with good endurance capabilities A highly efficient approach for synthesizing a supramolecular metallogel of Co(II) ions, denoted as CoA-TA, has been established under room temperature and atmospheric pressure conditions. This method employs the metal-coordinating organic ligand benzene-1,3,5-tricarboxylic acid as a low molecular weight gelator (LMWG) in DMF solvent. A comprehensive analysis of the mechanical properties of the resulting supramolecular Co(II)-metallogel was conducted through rheological investigation, considering angular frequency and thixotropic study. The hierarchical rocky network structure of the supramolecular Co(II)-metallogel was unveiled using field emission scanning electron microscopy (FESEM). Transmission electron microscopic (TEM) analysis showed rod-shaped structures via low-magnification high angle annular dark field (HAADF) bright field scanning transmission electron microscopic (STEM) imaging, while energy dispersive X-ray (EDX) elemental mapping confirmed its primary chemical constituents. The formation mechanism of the metallogel was examined via fourier transform infrared spectroscopy (FTIR) spectroscopy. The nature of the synthesized CoA-TA metallogel was affirmed through powder X-ray diffraction (PXRD) analysis. Furthermore, this study involved fabrication of Schottky diode structures in a metal-semiconductor-metal geometry based on cobalt(II) metallogel (CoA-TA), enabling observation of charge transport behavior. Remarkably, a resistive random access memory (RRAM) device utilizing cobalt(II) metallohydrogel (CoA-TA) demonstrated bipolar resistive switching at room temperature and under ambient conditions. The switching mechanism was investigated, revealing the formation and rupture of conductive filaments between metal electrodes that govern the resistive switching behavior. This RRAM device exhibited an impressive ON/OFF ratio (~ 414) and exceptional endurance over 5000 switching cycles. These structures offer great potential for diverse applications such as non-volatile memory design, neuromorphic computing, flexible electronics and optoelectronics. Their advantages lie in their fabrication process, reliable resistive switching behavior and overall performance stability. Resistive random-access memory ; Resistive touchscreen ; Random access ; Random access memory ; Computer science ; Materials science ; Optoelectronics ; Computer hardware ; Chemistry ; Operating system ; Electrode Supramolecular Self-Assembly in Materials ; Conducting polymers and applications ; Luminescence and Fluorescent Materials
Authors: Petra Mischnick | Sarah Schleicher
Source: Analytical and Bioanalytical Chemistry (article, 2024-03-04)
Field: Chemistry — Spectroscopy

Potential of ion mobility mass spectrometry in cellulose ether analysis: substitution pattern of hydroxyethyl celluloses Ion mobility mass spectrometry (ESI-tims-ToF-MS, syringe pump infusion) has been applied to glucose and oligosaccharide ethers derived from hydroxyethyl-methyl celluloses (HEMC) and hydroxyethyl celluloses (HEC) after permethylation and partial depolymerization: by hydrolysis without or with subsequent reductive amination with m-amino benzoic acid (mABA) or by reductive cleavage. As model compounds without tandem substitution methoxyethylated methylcellulose was used. Regioisomeric glucose ethers were separated according to their ion mobility, and positions of substitution could be assigned. Glucose ethers including isomers with tandem substitution showed additional signals with a smaller collision cross-section (CCS) than core-substituted isomers. Positional isomers of cellobiose ethers were only partly resolved due to too high complexity but showed a characteristic fingerprint that might allow classifying samples. Relative intensities of signals of glucose ether isomers could only be quantified in case of ABA derivatives with its fixed charge, while sodium adducts of methoxyethyl ethers showed an influence of the MeOEt position on ion yield. Results were in very good agreement with reference analysis. [M + Na]<sup>+</sup> adducts of α- and β-anomers of glucose derivatives were separated in IM, complicating position assignment. This could be overcome by reductive cleavage of the permethylated HE(M)C yielding 1,5-anhydroglucitol-terminated oligosaccharides, showing the best resolved fingerprints of the cellobiose ethers of a particular cellulose ether. With this first application of ion mobility MS to the analysis of complex cellulose ethers, the promising potential of this additional separation dimension in mass spectrometry is demonstrated and discussed. Chemistry ; Reductive amination ; Ion-mobility spectrometry ; Ether ; Tandem mass spectrometry ; Mass spectrometry ; Cellobiose ; Adduct ; Hydroxyethyl cellulose ; Hydrolysis ; Cellulose ; Acid hydrolysis ; Benzotriazole ; Organic chemistry ; Chromatography Mass Spectrometry Techniques and Applications ; Microfluidic and Capillary Electrophoresis Applications ; Analytical Chemistry and Chromatography
Authors: G. Sánchez-Plaza | Alfonso Urquía
Source: Optics Express (article, 2024-04-19)
Field: Materials Science — Surfaces, Coatings and Films

Process and optical modeling of black silicon Black silicon is relevant for the photovoltaic industry when searching for low-reflectance, low-defect front surface, which is the goal of this work. We have fabricated samples using reactive ion etching (RIE) plus chemical etching for the smoothing, characterized them, and built modeling tools capable of reproducing the resulting geometric features, based on the process parameters. Reflectance is simulated using a proprietary rigorous coupled wave analysis (RCWA)-based tool, and compared with the experimental results. A good matching was achieved using a simple unit cell, and a better agreement when using a 0.5 square microns sample. Finally, an optimum trade-off between low reflectance and low thickness has been achieved. Optics ; Black silicon ; Process (computing) ; Silicon ; Materials science ; Computer science ; Optoelectronics ; Physics Optical Coatings and Gratings ; Thin-Film Transistor Technologies ; Nanowire Synthesis and Applications
Authors: Anju Kumari Das | Shova Neupane | Kanchan Kumar Nayak | Suraj Shrestha | Nabin Karki | Dipak Kumar Gupta | Amar Prasad Yadav
Source: Results in Chemistry (article, 2024-10-18)
Field: Materials Science — Materials Chemistry

Dichloromethane -Methanol fraction of Mahonia nepalensis containing Berberine, Jatrorrhizine, and Tetrahydroberberine as corrosion inhibitor for mild steel • Berberine, Jatrorrhizine, and Tetrahydroberberine have been separated from Mahonia nepalensis (MN) bark extracts. • Molecules were identified and quantified by Liquid column mass spectroscopy (LC-MS) in dichloromethane -Methanol fraction. • Separated compounds have been characterized by UV-Visible, FTIR spectroscopy. • Corrosion inhibition properties were investigated which showed above 91% inhibition efficiency. • Adsorption of molecules on MS has also been studied. A potentially superior alternative source of environmentally acceptable corrosion inhibitors for metallic materials is plant extracts. This study reports on the use of compounds separated from Mahonia nepalensis (MN) bark extract as an environmentally friendly corrosion inhibitor for mild steel (MS) in 1 M H 2 SO 4 . The organic layer was separated from MN bark extracts and then Berberine, Jatrorrhizine, and Tetrahydroberberine were identified and quantified by Liquid column mass spectroscopy (LC-MS) in dichloromethane (DCM) −Methanol fraction of Mahonia nepalensis . The DCM − Methanol fraction of extract was characterized by Ultra violet − visible spectroscopy (UV–Vis) and Fourier Transform Infrared (FTIR). The DCM-Methanol fractions in 1 M H 2 SO 4 were applied to study corrosion inhibition of MS by potentiodynamic polarization and electrochemical impedance spectroscopy (EIS). The results showed above 91 % inhibition efficiency (IE) for DCM-Methanol fraction containing 2.12 ppm berberine, jatrorrhizine, and tetrahydroberberine at room temperature indicating that it is an effective and cheap candidate for the corrosion prevention of MS in industry. The potentiodynamic polarization demonstrated a reduction in current density without affecting the reaction mechanism but reduced the hydrogen reduction indicated by suppression in cathodic current. Based on polarization curves and open circuit potential, it exhibited mixed inhibitory behavior. Similarly, EIS analysis revealed a drop in double-layer capacitance accompanied by an increase in charge transfer resistance. EIS and a scanning electron microscope (SEM) with energy dispersive X-ray spectroscopy (EDX) ascertain the adsorption of inhibitor molecules forming a protective layer on the MS surface. Berberine ; Jatrorrhizine ; Dichloromethane ; Fraction (chemistry) ; Chemistry ; Palmatine ; Medicine ; Pharmacology ; Chromatography ; Organic chemistry Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability
Authors: Mounika Sri Singamsetti | Sravani Sala | Anil Kumar Vadaga
Source: Journal of Pharma Insights and Research. (article, 2024-06-08)
Field: Chemistry — Organic Chemistry

Importance of Biopolymers in Pharmaceutical and Medical Fields Biopolymers have gained significant traction in the pharmaceutical and medical fields due to their unique properties and versatile applications. These naturally derived polymers exhibit remarkable characteristics such as biodegradability, biocompatibility, renewability, affordability, and availability. Their role in tissue engineering, wound healing, and biosensor development has been extensively explored. In tissue engineering, biopolymers serve as scaffolds or matrices, supporting cell growth, proliferation, and differentiation for both hard and soft tissue regeneration. Hard tissue scaffolds often incorporate biopolymers like collagen, chitosan, and gelatin, combined with bioactive ceramics like hydroxyapatite, mimicking the natural composition of bone. Soft tissue scaffolds employ biopolymers such as collagen, gelatin, elastin, and alginate, fabricated into hydrogels, fibrous meshes, or porous structures for applications like skin, vascular, cardiac, and nerve tissue regeneration. Biopolymers have demonstrated promising potential in promoting wound healing and tissue repair, creating moist wound dressings, absorbing exudates, and providing a favorable environment for tissue regeneration. Biopolymers like collagen, chitosan, and alginate have been investigated for this purpose. In biosensor development, biopolymers offer biocompatibility and the ability to immobilize biomolecules such as enzymes, antibodies, or nucleic acids, serving as matrices for biological recognition elements while maintaining their activity and stability Engineering ethics ; Data science ; Computer science ; Engineering Plant-Derived Bioactive Compounds ; Nanoparticle-Based Drug Delivery
Authors: David Preciado | Wilson Cardona‐G | Angie Herrera‐Ramírez | A.F. Yepes
Source: Medicinal Chemistry Research (article, 2024-09-01)
Field: Chemistry — Organic Chemistry

A potent therapeutic scaffold fusing quinazolinone/melatonin for future colorectal cancer interventions: design, one-pot synthesis, biological and ADME-tox modeling studies Abstract Colorectal cancer is one of the most incident and lethal cancers in the world. The search for new compounds to treat this disease is being motivated by the occurrence of side effects and the rising in the resistance to chemotherapy. We synthesized a new class of conjugates bearing quinazolinone and melatonin which were prepared in good yields (63–93%) through one-pot three-component approach. quinazolinone/melatonin conjugates were proved against SW480 human colorectal adenocarcinoma cells and non-malignant colonic cells (NCM460). The cytotoxic and antiproliferative activities were determined through the sulforhodamine B assay. Compounds 1f , 1g and 1i–l displayed the best activity, being hybrids 1i–l the most selective against malignant cells, causing either a cytostatic and/or cytotoxic effect with evident morphological changes. Moreover, a theoretical drug-like/pharmacokinetics/toxicological study suggested that the hit-promising compounds 1i and 1j would have a great chance to advance to further preclinical studies as anti-cancer therapeutic candidate for oral oncological management. Our study evidently identified the potency of these quinazolinone/melatonin hybrids to be a prototype drug for further investigations toward novel therapeutics treatments of colorectal cancer. Quinazolinone ; Colorectal cancer ; Melatonin ; Chemistry ; ADME ; Cytotoxic T cell ; Pharmacology ; Cancer research ; Cancer ; Drug ; In vitro ; Medicine ; Internal medicine ; Combinatorial chemistry ; Biochemistry Quinazolinone synthesis and applications ; Phenothiazines and Benzothiazines Synthesis and Activities ; Synthesis and biological activity