jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Luca Corallo | Benoît Revil-Baudard | Oana Cazacu | Patricia Verleysen
Source: European Journal of Mechanics - A/Solids (article, 2022-11-05)
Field: Materials Science — Materials Chemistry

Role of anisotropy on strain localization at high-strain rates in Ti6Al4V Necking ; Anisotropy ; Materials science ; Orthotropic material ; Digital image correlation ; Strain rate ; Yield (engineering) ; Titanium alloy ; Yield surface ; Plasticity ; Composite material ; Mechanics ; Finite element method ; Constitutive equation ; Structural engineering ; Optics ; Alloy ; Physics High-Velocity Impact and Material Behavior ; Microstructure and mechanical properties ; Metal Forming Simulation Techniques
Authors: Richard Pearson | C. Baus | Satoshi Konishi | Keisuke Mukai | Andrea D’Angiò | Shutaro Takeda
Source: IEEE Transactions on Plasma Science (article, 2022-11-01)
Field: Materials Science — Materials Chemistry

Overview of Kyoto Fusioneering’s SCYLLA© (“Self-Cooled Yuryo Lithium-Lead Advanced”) Blanket for Commercial Fusion Reactors This article outlines Kyoto Fusioneering’s (KF’s) initial engineering and development activities for its self-cooled lithium lead-type blanket: Self-Cooled Yuryo Lithium-Lead Advanced (SCYLLA©). We provide details on overall design, including an initial tritium breeding ratio (TBR) assessment via neutronics analysis, as well as the status of SCYLLA©-relevant R&D. This includes silicon carbide composite (SiCf/SiC) manufacturing techniques, tritium extraction, materials compatibility, and heat transfer, which are being explored via collaboration with Kyoto University. Results of previous work in relation to this R&D are presented. Permeability coefficients indicate a promising property of SiCf/SiC tritium hermeticity at high temperatures. Tritium extraction technology via vacuum sieve tray (VST) is shown to be demonstrated at engineering scale. A local TBR of up to 1.4 can be achieved with the SCYLLA© configuration. Fabrication methods for various SiCf/SiC components including the blanket module, heat exchanger, and flow path components are provided. A tritium compatible high-temperature SiCf/SiC heat exchanger is discussed. Commercial viability and reactor adaptability are considered as a theme throughout. Finally, KF’s plans to build a facility for demonstration reactor relevant testing of a SCYLLA© prototype in the mid-2020s, which will provide a significant step toward commercial fusion energy, are presented. Blanket ; Nuclear engineering ; Materials science ; Silicon carbide ; Fusion power ; Heat exchanger ; Mechanical engineering ; Environmental science ; Nuclear physics ; Plasma ; Engineering ; Composite material Fusion materials and technologies ; Nuclear Materials and Properties ; Nuclear reactor physics and engineering
Authors: Ruixue Zhang | Yanping Liu | Xinke Jiang | Bo Meng
Source: Catalysts (article, 2022-06-13)
Field: Materials Science — Materials Chemistry

Vital Role of Synthesis Temperature in Co–Cu Layered Hydroxides and Their Fenton-like Activity for RhB Degradation Cu and Co have shown superior catalytic performance to other transitional elements, and layered double hydroxides (LDHs) have presented advantages over other heterogeneous Fenton catalysts. However, there have been few studies about Co–Cu LDHs as catalysts for organic degradation via the Fenton reaction. Here, we prepared a series of Co–Cu LDH catalysts by a co-precipitation method under different synthesis temperatures and set Rhodamine B (RhB) as the target compound. The structure-performance relationship and the influence of reaction parameters were explored. A study of the Fenton-like reaction was conducted over Co–Cu layered hydroxide catalysts, and the variation of synthesis temperature greatly influenced their Fenton-like catalytic performance. The Co–Cut=65°C catalyst with the strongest LDH structure showed the highest RhB removal efficiency (99.3% within 30 min). The change of synthesis temperature induced bulk-phase transformation, structural distortion, and metal–oxygen (M–O) modification. An appropriate temperature improved LDH formation with defect sites and lengthened M–O bonds. Co–Cu LDH catalysts with a higher concentration of defect sites promoted surface hydroxide formation for H2O2 adsorption. These oxygen vacancies (Ovs) promoted electron transfer and H2O2 dissociation. Thus, the Co–Cu LDH catalyst is an attractive alternative organic pollutants treatment. Catalysis ; Layered double hydroxides ; Rhodamine B ; Chemistry ; Hydroxide ; Methyl orange ; Inorganic chemistry ; Adsorption ; Degradation (telecommunications) ; Photocatalysis ; Organic chemistry Layered Double Hydroxides Synthesis and Applications ; Advanced Photocatalysis Techniques ; Catalytic Processes in Materials Science
Authors: Claudia Ardino | Filomena Sannio | Carolina Pasero | Lorenzo Botta | Elena Dreassi | Jean‐Denis Docquier | Ilaria D’Agostino
Source: Molecular Diversity (article, 2022-08-29)
Field: Chemistry — Organic Chemistry

The impact of counterions in biological activity: case study of antibacterial alkylguanidino ureas Chemistry ; Counterion ; Trifluoroacetic acid ; Combinatorial chemistry ; Biological activity ; Drug discovery ; Antibacterial activity ; Organic chemistry ; In vitro ; Biochemistry ; Biology Antimicrobial agents and applications ; Click Chemistry and Applications ; Antimicrobial Peptides and Activities
Authors: Yan Cui | Huikang Song | Yiyu Shi | Pengxiang Ge | Mindong Chen | Leilei Xu
Source: Nanomaterials (article, 2022-06-16)
Field: Materials Science — Materials Chemistry

Enhancing the Low-Temperature CO Oxidation over CuO-Based α-MnO2 Nanowire Catalysts A series of CuO-based catalysts supported on the α-MnO<sub>2</sub> nanowire were facilely synthesized and employed as the CO oxidation catalysts. The achieved catalysts were systematically characterized by XRD, SEM, EDS-mapping, XPS and H<sub>2</sub>-TPR. The catalytic performances toward CO oxidation had been carefully evaluated over these CuO-based catalysts. The effects of different loading methods, calcination temperatures and CuO loading on the low temperature catalytic activity of the catalyst were investigated and compared with the traditional commercial MnO<sub>2</sub> catalyst with a block structure. It was found that the slenderness ratio of a CuO/α-MnO<sub>2</sub> nanowire catalyst decreases with the increase in CuO loading capacity. The results showed that when CuO loading was 3 wt%, calcination temperature was 200 °C and the catalyst that was supported by the deposition precipitation method had the highest catalytic activity. Besides, the α-MnO<sub>2</sub> nanowire-supported catalysts with excellent redox properties displayed much better catalytic performances than the commercial MnO<sub>2</sub>-supported catalyst. In conclusion, the CuO-based catalysts that are supported by α-MnO<sub>2</sub> nanowires are considered as a series of promising CO oxidation catalysts. Catalysis ; Calcination ; Nanowire ; Materials science ; X-ray photoelectron spectroscopy ; Chemical engineering ; Redox ; Precipitation ; Inorganic chemistry ; Nanotechnology ; Chemistry ; Metallurgy ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Copper-based nanomaterials and applications
Authors: S. Preethi | Hitesh Kumar | VISHAL B. RAWAL | RAMKISHAN AJMEER | Vikas Jain
Source: International Journal of Applied Pharmaceutics (article, 2022-03-07)
Field: Materials Science — Biomaterials

OVERVIEW OF MITOXANTRONE-A POTENTIAL CANDIDATE FOR TREATMENT OF BREAST CANCER Anthraquinones are one of the popular classes of aromatic compounds which possess potential anticancer properties by suppressing the nucleic acid formation and proteins essential to the survival of cancerous cells. Mitoxantrone (MT) is an antibiotic and antineoplastic agent belonging to the anthracycline class of compounds which exhibit minimal incident of drug resistance. It is a synthetic anticancer drug, bound to enzyme topoisomerase IIα inhibitor, and intercalates DNA topoisomerase IIα, preventing re-ligations in DNA strands fragmentation and disruption of DNA repair. The expression of this enzyme was used tumor cells marker because of its key function in cell proliferation. The cleavable complex of topoisomerase IIα is hypothesized to damage the DNA and may enhance apoptosis in tumor cell proliferation. The susceptibility of cells to mitoxantrone is associated with cell topoisomerase II α protein and lowered resistance in breast cancer line cell lines to topoisomerase IIα inhibitors. MT is an ABC-transporter in breast cancer, also designated to be associated with “Breast cancer resistance protein” (BCRP) and it is also a cell cycle non-specific anti-cancer drug and P-glycoprotein substrate. Multiple drug resistance is one of the major drawbacks of this drug which can be avoided by reducing the efflux of the drug from cancer cells by formulating drug by using lipophilic carriers. This manuscript discusses about MT's source, chemistry, physicochemical properties, anti-cancer effects of mitoxantrone and possible pathways, Mitoxantrone targeting topoisomerase II inhibitor for cancer therapy and its mechanism, Various Nano formulation development strategy, toxicity profile, and a few patents related information. Mitoxantrone ; Topoisomerase ; Cancer cell ; Efflux ; Chemistry ; Cancer research ; Abcg2 ; Pharmacology ; Cancer ; Topoisomerase inhibitor ; Drug resistance ; Multiple drug resistance ; Doxorubicin ; Biology ; Biochemistry ; ATP-binding cassette transporter ; DNA ; Chemotherapy ; Transporter ; Antibiotics Nanoparticle-Based Drug Delivery ; Cancer Treatment and Pharmacology
Authors: Khushal M. Kapadiya | Kishor M. Kavadia | Vijay M. Khedkar | Piyush V. Dholaria | Amita J. Jivani | Ranjan Khunt
Source: Heterocyclic Communications (article, 2022-01-01)
Field: Chemistry — Organic Chemistry

Synthesis of fluoro-rich pyrimidine-5-carbonitriles as antitubercular agents against H37Rv receptor Abstract The purpose of this study was to prepare various derivatives of 4-amino-2-(3-fluoro-5-(trifluoromethyl)phenyl)-6-arylpyrimidine-5-carbonitrile ( 6a–6h ) using a three-step procedure. The derivatives were screened in vitro for activity against Mycobacterium tuberculosis strain H37Rv . The activity was expressed as the minimum inhibitory concentration (MIC) in μg/mL (μM). Eight compounds showed activity against Mtb H37Rv, and among them, 6f showed the best value of MIC, IC 50 (53 μM) and IC 90 (62 μM). Minimum bactericidal concentration of compound 6f was higher than its MIC and was more time-dependent than the concentration. Compound 6f was more active against M. tuberculosis H37Rv under low oxygen than metronidazole and did not show good potency in different treatments and non-tuberculous mycobacteria. Furthermore, a molecular docking study against mycobacterial enoyl-ACP reductase (InhA) could provide valuable insights into the plausible mechanism of action, which could set the theme for lead optimization. INHA ; Chemistry ; Mycobacterium tuberculosis ; Minimum inhibitory concentration ; Pyrimidine ; Potency ; Stereochemistry ; Trifluoromethyl ; IC50 ; Docking (animal) ; In vitro ; Combinatorial chemistry ; Tuberculosis ; Biochemistry ; Organic chemistry ; Alkyl Quinazolinone synthesis and applications ; Synthesis and biological activity ; Cancer therapeutics and mechanisms
Authors: Yuting Qiao | Xianrong Liu | Jia Zhi | Peng Zhang | Li Gao | Bingxin Liu | Lijuan Qiao | Lei Zhang
Source: Biosensors (article, 2022-10-12)
Field: Materials Science — Materials Chemistry

In Situ Growth Intercalation Structure MXene@Anatase/Rutile TiO2 Ternary Heterojunction with Excellent Phosphoprotein Detection in Sweat Abnormal protein phosphorylation may relate to diseases such as Alzheimer's, schizophrenia, and Parkinson's. Therefore, the real-time detection of phosphoproteins in sweat was of great significance for the early knowledge, detection, and treatment of neurological diseases. In this work, anatase/rutile TiO<sub>2</sub> was in situ grown on the MXene surface to constructing the intercalation structure MXene@anatase/rutile TiO<sub>2</sub> ternary heterostructure as a sensing platform for detecting phosphoprotein in sweat. Here, the intercalation structure of MXene acted as electron and diffusion channels for phosphoproteins. The in situ grown anatase/rutile TiO<sub>2</sub> with n-n-type heterostructure provided specific adsorption sites for the phosphoproteins. The determination of phosphoprotein covered concentrations in sweat, with linear range from 0.01 to 1 mg/mL, along with a low LOD of 1.52 μM. It is worth noting that, since the macromolecular phosphoprotein was adsorbed on the surface of the material, the electrochemical signal gradually decreased with the increase of phosphoprotein concentration. In addition, the active sites in the MXene@anatase/rutile TiO<sub>2</sub> ternary heterojunction and synergistic effect of the heterojunction were verified by first-principle calculations to further realize the response to phosphoproteins. Additionally, the effective diffusion capacity and mobility of phosphoprotein molecules in the ternary heterojunction structure were studied by molecular dynamics simulation. Furthermore, the constructed sensing platform showed high selectivity, repeatability, reproducibility, and stability, and this newly developed sensor can detect for phosphoprotein in actual sweat samples. This satisfactory sensing strategy could be promoted to realize the noninvasive and continuous detection of sweat. Anatase ; Heterojunction ; Materials science ; Ternary operation ; Rutile ; Phosphoprotein ; Intercalation (chemistry) ; Chemical engineering ; Chemistry ; Inorganic chemistry ; Optoelectronics ; Photocatalysis ; Phosphorylation ; Computer science ; Biochemistry ; Catalysis MXene and MAX Phase Materials ; Advanced Sensor and Energy Harvesting Materials ; Polydiacetylene-based materials and applications
Authors: Charlotte Fleming | Mojtaba Golzan | Cindy Gunawan | Kristine McGrath
Source: Global Challenges (article, 2022-09-14)
Field: Materials Science — Materials Chemistry

Systematic and Bibliometric Analysis of Magnetite Nanoparticles and Their Applications in (Biomedical) Research Recent reports show air pollutant magnetite nanoparticles (MNPs) in the brains of people with Alzheimer's disease (AD). Considering various field applications of MNPs because of developments in nanotechnology, the aim of this study is to identify major trends and data gaps in research on magnetite to allow for relevant environmental and health risk assessment. Herein, a bibliometric and systematic analysis of the published magnetite literature (<i>n</i> = 31 567) between 1990 to 2020 is completed. Following appraisal, publications (<i>n</i> = 244) are grouped into four time periods with the main research theme identified for each as 1990-1997 "oxides," 1998-2005 "ferric oxide," 2006-2013 "pathology," and 2014-2020 "animal model." Magnetite formation and catalytic activity dominate the first two time periods, with the last two focusing on the exploitation of nanoparticle engineering. Japan and China have the highest number of citations for articles published. Longitudinal analysis indicates that magnetite research for the past 30 years shifted from environmental and industrial applications, to biomedical and its potential toxic effects. Therefore, whilst this study presents the research profile of different countries, the development in research on MNPs, it also reveals that further studies on the effects of MNPs on human health is much needed. Magnetite Nanoparticles ; Magnetite ; Nanoparticle ; Nanotechnology ; Materials science ; Magnetic nanoparticles ; Metallurgy Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications
Authors: Julian Pries | C. Stenz | Lisa Schäfer | Alexander Gutsche | Shuai Wei | Pierre Lucas | Matthias Wuttig
Source: Advanced Functional Materials (article, 2022-09-25)
Field: Materials Science — Materials Chemistry

Resistance Drift Convergence and Inversion in Amorphous Phase Change Materials Abstract Phase change materials (PCMs) are key to the development of artificial intelligence technologies such as high‐density memories and neuromorphic computing, thanks to their ability for multi‐level data storage through stepwise resistive encoding. Individual resistance levels are realized by adjusting the crystalline and amorphous volume fraction of the memory cell. However, the amorphous phase exhibits a drift in resistance over time that has so far hindered the commercial implementation of multi‐level storage schemes. In this study, the underlying physical process of resistance drift with the goal of modeling is elucidated that will help minimize and potentially overcome drift in PCM memory devices. Clear evidence is provided that the resistance drift is dominated by glass dynamics. Resistivity convergence and drift inversion for the amorphous chalcogenide Ge 15 Te 85 and the PCM Ge 3 Sb 6 Te 5 are experimentally demonstrated and these changes are successfully predicted with a glass dynamics model. This new insight into the resistance drift process provides tools for the development of advanced PCM devices. Materials science ; Amorphous solid ; Phase change ; Convergence (economics) ; Inversion (geology) ; Engineering physics ; Crystallography Phase-change materials and chalcogenides ; Liquid Crystal Research Advancements ; Thin-Film Transistor Technologies
Authors: Colin K. Loeb | Du T. Nguyen | Taylor M. Bryson | Eric B. Duoss | Thomas S. Wilson | Jeremy M. Lenhardt
Source: Additive manufacturing (article, 2022-04-21)
Field: Materials Science — Polymers and Plastics

Hierarchical 3D Printed Porous Silicones with Porosity Derived from Printed Architecture and Silicone-Shell Microballoons Materials science ; Porosity ; Glass microsphere ; Siloxane ; Silicone ; Composite material ; Emulsion ; Elastomer ; Shell (structure) ; Compression (physics) ; Syntactic foam ; 3d printed ; Microsphere ; Chemical engineering ; Biomedical engineering Polymer composites and self-healing ; Polymer Foaming and Composites ; Silicone and Siloxane Chemistry
Authors: Francisco Weshley Maciel-Silva | Daniel Lachos‐Perez | Luz Selene Buller | William Gustavo Sganzerla | Montserrat Pérez | Maurı́cio A. Rostagno | Tânia Forster‐Carneiro
Source: Molecules (review, 2022-09-23)
Field: Chemistry — Spectroscopy

Green Extraction Processes for Complex Samples from Vegetable Matrices Coupled with On-Line Detection System: A Critical Review The detection of analytes in complex organic matrices requires a series of analytical steps to obtain a reliable analysis. Sample preparation can be the most time-consuming, prolonged, and error-prone step, reducing the reliability of the investigation. This review aims to discuss the advantages and limitations of extracting bioactive compounds, sample preparation techniques, automation, and coupling with on-line detection. This review also evaluates all publications on this topic through a longitudinal bibliometric analysis, applying statistical and mathematical methods to analyze the trends, perspectives, and hot topics of this research area. Furthermore, state-of-the-art green extraction techniques for complex samples from vegetable matrices coupled with analysis systems are presented. Among the extraction techniques for liquid samples, solid-phase extraction was the most common for combined systems in the scientific literature. In contrast, for on-line extraction systems applied for solid samples, supercritical fluid extraction, ultrasound-assisted extraction, microwave-assisted extraction, and pressurized liquid extraction were the most frequent green extraction techniques. Supercritical fluid extraction ; Extraction (chemistry) ; Computer science ; Sample preparation ; Analyte ; Process engineering ; Complex matrix ; Automation ; Reliability (semiconductor) ; Biological system ; Chromatography ; Biochemical engineering ; Chemistry ; Engineering ; Power (physics) Analytical Chemistry and Chromatography ; Advanced Chemical Sensor Technologies ; Spectroscopy and Chemometric Analyses
Authors: Yifan Yuan | Yang Yu | Yu Guo | Ying‐Hua Chu | Jun Chang | Yi‐Cheng Hsu | Patrick Liebig | Ji Xiong | Wenwen Yu | Danyang Feng | Baofeng Yang | Liang Chen | He Wang | Yue Qi | Ying Mao
Source: Metabolites (article, 2022-09-24)
Field: Materials Science — Materials Chemistry

Noninvasive Delineation of Glioma Infiltration with Combined 7T Chemical Exchange Saturation Transfer Imaging and MR Spectroscopy: A Diagnostic Accuracy Study For precise delineation of glioma extent, amino acid PET is superior to conventional MR imaging. Since metabolic MR sequences such as chemical exchange saturation transfer (CEST) imaging and MR spectroscopy (MRS) were developed, we aimed to evaluate the diagnostic accuracy of combined CEST and MRS to predict glioma infiltration. Eighteen glioma patients of different tumor grades were enrolled in this study; 18F-fluoroethyltyrosine (FET)-PET, amide proton transfer CEST at 7 Tesla(T), MRS and conventional MR at 3T were conducted preoperatively. Multi modalities and their association were evaluated using Pearson correlation analysis patient-wise and voxel-wise. Both CEST (R = 0.736, p < 0.001) and MRS (R = 0.495, p = 0.037) correlated with FET-PET, while the correlation between CEST and MRS was weaker. In subgroup analysis, APT values were significantly higher in high grade glioma (3.923 ± 1.239) and IDH wildtype group (3.932 ± 1.264) than low grade glioma (3.317 ± 0.868, p < 0.001) or IDH mutant group (3.358 ± 0.847, p < 0.001). Using high FET uptake as the standard, the CEST/MRS combination (AUC, 95% CI: 0.910, 0.907−0.913) predicted tumor infiltration better than CEST (0.812, 0.808−0.815) or MRS (0.888, 0.885−0.891) alone, consistent with contrast-enhancing and T2-hyperintense areas. Probability maps of tumor presence constructed from the CEST/MRS combination were preliminarily verified by multi-region biopsies. The combination of 7T CEST/MRS might serve as a promising non-radioactive alternative to delineate glioma infiltration, thus reshaping the guidance for tumor resection and irradiation. Glioma ; Nuclear medicine ; In vivo magnetic resonance spectroscopy ; Magnetic resonance imaging ; Nuclear magnetic resonance ; Medicine ; Chemistry ; Radiology ; Cancer research ; Physics Lanthanide and Transition Metal Complexes ; Advanced MRI Techniques and Applications ; MRI in cancer diagnosis
Authors: Giuseppe Musolino | Antonio Cartisano | G. Chilà | Giuseppe Fortugno | Maria Rosaria Trecozzi
Source: International Journal of Transport Development and Integration (article, 2022-10-17)
Field: Materials Science — Materials Chemistry

Evaluation of Structural Factors in a Thirdgeneration Port: Methods and Applications UNCTAD identified the structural factors of commercial ports and introduced the general definition of 'port generation'. Third-generation ports were born with the container revolution in the last decades of the 20th century. The container became the main unit for the transport of goods, both intermediate and finished, between production and consumption regions. Containerization allowed the globalization of the economy and ports became the nodes of the global supply chain. The paper proposes a methodology, based on consolidated theoretical models, to ex-ante evaluate the current and future scenarios of an international commercial port. The methodology has been applied to the container port of Gioia Tauro, with the aim to verify its ability to become a third-generation port as a generator of value added, rather than only a centre of cost. The results of the application allowed to identifying the development direction and the planned interventions in the port, as far as concerns general transport, agri-food logistics and mechanical logistics. Port (circuit theory) ; Computer science ; Engineering ; Electronic engineering High voltage insulation and dielectric phenomena ; Concrete Corrosion and Durability ; Maritime Transport Emissions and Efficiency