jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Hongxia Li | Peng Chen | Zhilin Wu | Yuhan Lu | Junmei Peng | Jingyang Chen | Wei‐Min He
Source: Chinese Journal of Organic Chemistry (article, 2022-01-01)
Field: Chemistry — Organic Chemistry

Electrochemical Oxidative Cross-Dehydrogenative Coupling of Five-Membered Aromatic Heterocycles with NH<sub>4</sub>SCN A practical method for the synthesis of various thiocyanated 5-membered aromatic heterocycles through electrochemical cross-coupling of heterocycles (pyrazoles, pyrroles, furans and thiophenes) with NH4SCN under chemical oxidantand exogenous electrolyte-free conditions was developed. NH4SCN played dual roles of a supporting electrolyte and a thiocyanated reagent, and thus simplify the reaction system. Chemistry ; Electrochemistry ; Oxidative phosphorylation ; Oxidative coupling of methane ; Coupling (piping) ; Combinatorial chemistry ; Organic chemistry ; Electrode ; Physical chemistry ; Biochemistry ; Metallurgy Radical Photochemical Reactions ; Catalytic C–H Functionalization Methods ; Sulfur-Based Synthesis Techniques
Authors: David Possetto | Ilir Pecnikaj | Gabriela Marzari | Simonetta Orlandi | Silvia del C. Sereno | Marco Cavazzini | Gianluca Pozzi | Fernando Fungo
Source: ChemPhysChem (article, 2022-09-08)
Field: Materials Science — Polymers and Plastics

Influence of Polyfluorinated Side Chains and Soft‐Template Method on the Surface Morphologies and Hydrophobic Properties of Electrodeposited Films from Fluorene Bridged Dicarbazole Monomers A clear case of relationship between the monomer molecular structure and the capability of tuning the morphology of electrodeposited gas bubbles template polymer thin films is shown. To this end, a series of fluorene-bridged dicarbazole derivatives containing either linear or terminally branched polyfluorinated side chains connected to the fluorene subunit were synthesized and their electrochemical properties were investigated. The new compounds underwent electrochemical polymerization over indium tin oxide electrodes to give hydrophobic films with nanostructural and morphological properties strongly dependent on the nature of the side chains. Gas bubbles templated electropolymerization was next achieved by the addition of tiny amounts of water to the monomer solutions, without using surfactants. Within the investigated set of molecules, the nanostructural properties of the soft-templated films obtained from monomers bearing linear side chains could be fine-tuned by adjusting electrochemical parameters, leading to superhydrophobic surfaces. Monomer ; Fluorene ; Side chain ; Indium tin oxide ; Materials science ; Electrochemistry ; Chemical engineering ; Polymerization ; Polymer ; Polymer chemistry ; Electrode ; Thin film ; Chemistry ; Nanotechnology ; Physical chemistry ; Composite material Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Organic Electronics and Photovoltaics
Authors: Atsushi Miyashita | Shuhei Mitsutomi | Tohru Mizushima | Kazuhisa Sekimizu
Source: FEMS Microbes (article, 2022-01-01)
Field: Chemistry — Organic Chemistry

Repurposing the PDMA-approved drugs in Japan using an insect model of staphylococcal infection A total of 1253 compounds approved as therapeutic drugs in Japan (Pharmaceuticals and Medical Devices Agency (PMDA)-approved compounds) were screened for their therapeutic effects against <i>Staphylococcus aureus</i> infection using the silkworm infection model. In the first stage of screening with an index of prolonged survival, 80 compounds were identified as hits. Of these, 64 compounds were clinically used as antimicrobial agents, and the remaining 16 compounds were not. The 16 compounds were examined for their dose-dependent therapeutic effects on the silkworm model as a second screening step, and we obtained five compounds as a result. One of the compounds (capecitabine) had no documented <i>in vitro</i> minimum inhibitory concentration (MIC) value against <i>S. aureus</i>. The MIC value of capecitabine against <i>S. aureus</i> strains ranged from 125 to 250 µg/ml, and capecitabine was therapeutically effective at a dose of 200 mg/kg in a murine model of <i>S. aureus</i> infection. These results suggest that silkworm-based drug repositioning studies are of potential value. Furthermore, the therapeutic effects of capecitabine demonstrated in this study provide an important scientific rationale for clinical observational studies examining the association between staphylococcal infection events and capecitabine administration in cancer chemotherapy patients. Repurposing ; Drug repositioning ; Staphylococcus aureus ; Medicine ; Biology ; Pharmacology ; Drug ; Ecology ; Bacteria ; Genetics Synthesis and Biological Evaluation ; Insect Utilization and Effects ; Asthma and respiratory diseases
Authors: Scott B. Laffoon | James D. Doecke | Anne M. Roberts | Jennifer A. Vance | Benjamin D. Reeves | Kelly Pertile | Rebecca Rumble | Christopher Fowler | Brett Trounson | David Ames | Ralph N. Martins | Ashley I. Bush | Colin L. Masters | Paul A. Grieco | Edward A. Dratz | Blaine R. Roberts
Source: Proteome Science (article, 2022-01-26)
Field: Chemistry — Spectroscopy

Analysis of plasma proteins using 2D gels and novel fluorescent probes: in search of blood based biomarkers for Alzheimer’s disease This demonstrates that further development of mass spectrometry assays is needed to capture the isoform complexity that exists in theses biological samples. However, this study indicates that a peripheral protein signature has potential to aid in the characterization of AD. Haptoglobin ; Blood proteins ; Trypsin ; Biomarker ; Biomarker discovery ; Proteomics ; Vitamin D-binding protein ; Difference gel electrophoresis ; Biology ; Molecular biology ; Chemistry ; Biochemistry ; Immunology ; Gene ; Vitamin ; Enzyme Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Vitamin D Research Studies
Authors: Nasim Kamely
Source: Journal of Electronic Materials (review, 2022-01-07)
Field: Materials Science — Polymers and Plastics

Interaction of Light with Different Electroactive Materials: A Review Solid-state physics ; Materials science ; Nanotechnology ; Chemistry ; Physics ; Condensed matter physics Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Transition Metal Oxide Nanomaterials
Authors: Şuat Pat | Özer Çelik | Alper Odabaş | Şadan Korkmaz
Source: Optik (article, 2022-03-20)
Field: Materials Science — Materials Chemistry

Optical properties of Nb2O5 doped ZnO nanocomposite thin film deposited by thermionic vacuum arc Materials science ; Band gap ; Thin film ; Doping ; Thermionic emission ; Nanocomposite ; Scanning electron microscope ; Vacuum arc ; Analytical Chemistry (journal) ; Optics ; Optoelectronics ; Nanotechnology ; Composite material ; Electron ; Plasma ; Physics ; Chemistry ZnO doping and properties ; Gas Sensing Nanomaterials and Sensors ; Surface Roughness and Optical Measurements
Authors: Sameea Ahmed Khan | Rajesh Sharma
Source: Current Drug Delivery (review, 2022-05-11)
Field: Materials Science — Biomaterials

Super Para-Magnetic Iron Oxide Nanoparticles (SPIONs) in the Treatmentof Cancer: Challenges, Approaches, and its Pivotal Role in Pancreatic,Colon, and Prostate Cancer Super Para-magnetic Iron Oxide Nanoparticles (SPIONs) have been manifested for their broad spectrum of applications ranging from biomedical imaging to the treatment of many diseases. Many experiments are being conducted across the globe to especially investigate their potential in the field of targeted treatment for malignant tissues. However, challenges pertaining to the desired delivery of anticancer drugs in the body remain unresolved or unattended. The bare iron oxide nanoparticles are liable to form agglomerates or get easily oxidized in the air which can lead to loss of their magnetism and viability. Moreover, in several reactions, these magnetic nanoparticles leach into the solution/ suspension, making it kinetically unstable. The nanoparticles, further readily metabolize in the stomach pH or are phagocytosed by macrophages. In this article, we address these issues by shedding light on the impact of controlling parameters like size, synthesis method, and surface engineering. After studying the existing literature, it is noted that currently, these magnetically guided delivery systems are being rigorously tested in areas like pancreatic cancer, colon cancer, and prostate cancer, which will be discussed in this review. The fact that the major issue in the conventional treatment of these cancers is intrinsic and acquired drug resistance is a key issue. In this context, the potential of SPIONs as efficient nanotherapeutics is presented. The article provides a deeper insight into the research conducted on these focused areas in cancer. This review also discusses, in brief, the consolidation of artificial intelligence in cancer nanomedicine assuring a better treatment outcome in near future. Nanomedicine ; Nanotechnology ; Context (archaeology) ; Prostate cancer ; Drug delivery ; Cancer ; Pancreatic cancer ; Iron oxide nanoparticles ; Nanoparticle ; Magnetic nanoparticles ; Medicine ; Cancer research ; Materials science ; Internal medicine ; Biology Nanoparticle-Based Drug Delivery ; Pancreatic and Hepatic Oncology Research
Authors: Hongzhi Shen | Junwen Ren | Junchao Hu | Zeyi Liu | Yingying Chen | Xinglin Wen | Dehui Li
Source: Advanced Electronic Materials (article, 2022-10-03)
Field: Materials Science — Materials Chemistry

Low‐Power Logic‐in‐Memory Complementary Inverter Based on p‐WSe<sub>2</sub> and n‐WS<sub>2</sub> Abstract Transition metal dichalcogenides have been considered as candidate materials to construct logic‐in‐memory devices for realizing non‐von‐Neumann architecture. Thus, reducing the power consumption is extremely critical for their applications in big data and artificial intelligence. Here, a low‐power logic‐in‐memory device is demonstrated by constructing complementary inverter with p‐WSe 2 and n‐WS 2 transistors. By engineering the interface states between WSe 2 (WS 2 ) and substrate artificially, non‐volatile memory with resistance ratio of 10 4 and 10 3 after 500 s are achieved in individual WSe 2 and WS 2 transistors, respectively. Furthermore, a complementary inverter with a retention time longer than 500 s is realized by connecting p‐WSe 2 and n‐WS 2 transistors. More importantly, the static operating source‐drain current I ds of this inverter is around 0.5/0.1 nA at low/high resistance states with source‐drain voltage V ds = 5 V, and the hysteresis window is located around 0 V, both of which can reduce the energy consumption dramatically and leads to the low operation power. This work provides a convenient strategy to build a non‐von‐Neumann device toward post‐Moore information processing technology. Inverter ; Transistor ; Materials science ; Power (physics) ; Logic gate ; Von Neumann architecture ; Electrical engineering ; Substrate (aquarium) ; Optoelectronics ; Hysteresis ; Non-volatile memory ; Computer science ; Voltage ; Nanotechnology ; Electronic engineering ; Physics ; Engineering ; Condensed matter physics 2D Materials and Applications ; Perovskite Materials and Applications ; Advanced Memory and Neural Computing
Authors: Ana L. Leal | Artur M. S. Silva | Jorge C. Ribeiro | F.G. Martins
Source: Microchemical Journal (article, 2022-01-19)
Field: Chemistry — Analytical Chemistry

Data driven models exploring the combination of NIR and 1H NMR spectroscopies in the determination of gasoline properties Gasoline ; Octane rating ; Boiling point ; Octane ; Reproducibility ; Partial least squares regression ; Chemistry ; Computer science ; Mathematics ; Statistics ; Chromatography ; Organic chemistry Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Advanced Chemical Sensor Technologies
Authors: Γ. Κορδάς
Source: Frontiers in Nanotechnology (review, 2022-03-23)
Field: Materials Science — Materials Chemistry

Nanocontainers Against Biofouling and Corrosion Degradation of Materials: A Short Review With Prospects The current state of the art in active corrosion prevention is based on the use of macromolecular containers that can store and release corrosion inhibitors particularly to the surface when corrosion develops. These corrosion inhibitor-containing nano- or microcontainers are subsequently infused into coatings, allowing them to self-heal. Especially, nanocontainers for self-healing coatings with controlled corrosion inhibitors, energy storage, cement fracture repair, and antifouling metal protection have recently been developed. Incorporating these nanocontainers into materials in small amounts (e.g., 5–10 wt% in paints) provided anticorrosion protection that was incomparably better than the current approaches. Furthermore, the materials developed had multifunctional properties, including self-healing, antibacterial, and antimicrobial properties. The primary goal of this review was to compile the different research studies that have been published in a variety of publications so that the reader may better understand the potential of these new types of nanotechnology and the prospects for nanocontainers. Corrosion ; Biofouling ; Materials science ; Nanotechnology ; Self-healing ; Metallurgy ; Chemistry Corrosion Behavior and Inhibition ; Marine Biology and Environmental Chemistry ; Concrete Corrosion and Durability
Authors: Zhongliang Shen | Kai Ren | Ruxing Zheng | Zhaoming Huang | Zhen Cui | Zijun Zheng | Li Wang
Source: Frontiers in Materials (article, 2022-01-28)
Field: Materials Science — Materials Chemistry

The Thermal and Electronic Properties of the Lateral Janus MoSSe/WSSe Heterostructure Two-dimensional materials have opened up extensive applications for traditional materials. In particular, heterostructures can further create fantastic performances. In this investigation, the lateral heterostructure was constructed using Janus MoSSe and WSSe monolayers with armchair and zigzag interfaces. Performing first-principles calculations and molecular dynamics simulation method, the thermal stability and the semiconductor characteristics with the type-II band structure to separate the photogenerated charges of such Janus MoSSe/WSSe heterostructure are presented, which suggests the potential application of acting as a photocatalyst for water splitting. Importantly, the asymmetric interface of the Janus MoSSe/WSSe heterostructure can result in natural bending, which limits the heat flow transport. Smaller heat flow and the interfacial thermal resistance of the lateral MoSSe/WSSe heterostructure with a zigzag edge interface are mainly due to suppressed acoustic branches. These structural symmetry and interface-dependent properties show the future applications in photovoltaic and thermoelectric devices. Janus ; Heterojunction ; Zigzag ; Materials science ; Semiconductor ; Band bending ; Optoelectronics ; Thermoelectric effect ; Thermal ; Condensed matter physics ; Nanotechnology ; Physics ; Geometry ; Thermodynamics 2D Materials and Applications ; MXene and MAX Phase Materials ; Perovskite Materials and Applications
Authors: Okmin Park | Se Woong Lee | Sang Jeong Park | Sang‐il Kim
Source: Micromachines (article, 2022-11-25)
Field: Materials Science — Materials Chemistry

Phase Formation Behavior and Thermoelectric Transport Properties of S-Doped FeSe2−xSx Polycrystalline Alloys Some transition-metal dichalcogenides have been actively studied recently owing to their potential for use as thermoelectric materials due to their superior electronic transport properties. Iron-based chalcogenides, FeTe<sub>2</sub>, FeSe<sub>2</sub> and FeS<sub>2</sub>, are narrow bandgap (~1 eV) semiconductors that could be considered as cost-effective thermoelectric materials. Herein, the thermoelectric and electrical transport properties FeSe<sub>2</sub>-FeS<sub>2</sub> system are investigated. A series of polycrystalline samples of the nominal composition of FeSe<sub>2-<i>x</i></sub>S<i><sub>x</sub></i> (<i>x</i> = 0, 0.2, 0.4, 0.6, and 0.8) samples are synthesized by a conventional solid-state reaction. A single orthorhombic phase of FeSe<sub>2</sub> is successfully synthesized for <i>x</i> = 0, 0.2, and 0.4, while secondary phases (Fe<sub>7</sub>S<sub>8</sub> or FeS<sub>2</sub>) are identified as well for <i>x</i> = 0.6 and 0.8. The lattice parameters gradually decrease gradually with S content increase to <i>x</i> = 0.6, suggesting that S atoms are successfully substituted at the Se sites in the FeSe<sub>2</sub> orthorhombic crystal structure. The electrical conductivity increases gradually with the S content, whereas the positive Seebeck coefficient decreases gradually with the S content at 300 K. The maximum power factor of 0.55 mW/mK<sup>2</sup> at 600 K was seen for <i>x</i> = 0.2, which is a 10% increase compared to the pristine FeSe<sub>2</sub> sample. Interestingly, the total thermal conductivity at 300 K of 7.96 W/mK (<i>x</i> = 0) decreases gradually and significantly to 2.58 W/mK for <i>x</i> = 0.6 owing to the point-defect phonon scattering by the partial substitution of S atoms at the Se site. As a result, a maximum thermoelectric figure of merit of 0.079 is obtained for the FeSe<sub>1.8</sub>S<sub>0.2</sub> (<i>x</i> = 0.2) sample at 600 K, which is 18% higher than that of the pristine FeSe<sub>2</sub> sample. Thermoelectric effect ; Seebeck coefficient ; Orthorhombic crystal system ; Materials science ; Crystallite ; Electrical resistivity and conductivity ; Thermoelectric materials ; Doping ; Band gap ; Phonon scattering ; Condensed matter physics ; Analytical Chemistry (journal) ; Semiconductor ; Thermal conductivity ; Crystal structure ; Crystallography ; Chemistry ; Thermodynamics ; Metallurgy ; Optoelectronics ; Composite material ; Physics Advanced Thermoelectric Materials and Devices ; Chalcogenide Semiconductor Thin Films ; 2D Materials and Applications
Authors: Isabelle C. Sanders | Nicholas M. Kuenning | Nicolas Minesi | Daniel I. Pineda | R. Mitchell Spearrin
Source: Fuel (article, 2022-12-12)
Field: Chemistry — Spectroscopy

Methyl methacrylate thermal decomposition: Modeling and laser spectroscopy of species time-histories behind reflected shock waves Rotational–vibrational spectroscopy ; Thermal decomposition ; Pyrolysis ; Shock wave ; Mole fraction ; Spectroscopy ; Decomposition ; Analytical Chemistry (journal) ; Carbon monoxide ; Chemistry ; Materials science ; Physical chemistry ; Thermodynamics ; Organic chemistry ; Physics ; Molecule Spectroscopy and Laser Applications ; Advanced Combustion Engine Technologies ; Atmospheric chemistry and aerosols
Authors: Jianfei Chen | Wei Xie | Min Dai | Shen Guo-rong | Guoneng Li | Yuanjun Tang
Source: Micromachines (article, 2022-01-10)
Field: Materials Science — Materials Chemistry

Experiments on Waste Heat Thermoelectric Generation for Passenger Vehicles In order to utilize waste heat from passenger vehicles by a thermoelectric generator (TEG), a lab-scale TEG with a sufficient low-pressure drop was designed and tested. The waste heat from a 2.0 L petrol engine was simulated by using an air-circulation channel with an adjustable electric heater and a speed control motor. The TEG consisted of an integrated molding designed aluminum-finned heat collector, twenty thermoelectric modules, and a set of water-cooled heat sinks. Experiments were conducted in terms of power load feature, pressure drop, heat collection efficiency, thermoelectric efficiency and overall efficiency. It was found that the hot-end temperature was much lower (46.9%) than the flue gas temperature because the trade-off between fin area and pressure drop had to be considered. The obtained maximum electric power was 36.4 W, and the corresponding pressure drop was 36 Pa. The corresponding heat collection efficiency was 46.5%, and the thermoelectric efficiency was 2.88%, which agreed well with the theoretical prediction of 3.38%. As a result, an overall efficiency of 1.21% was reached. The present work firstly demonstrated a waste-heat-recovering TEG prototype with a balanced overall efficiency of over 1%, and a pressure drop of less than 50 Pa. On the other hand, the maximum electric power was difficult to fully extract. The charging power to a battery with a maximum power point tracking direct current-direct current converter was experimentally verified to work at a much higher conversion efficiency (15.3% higher) than regular converters. Thermoelectric generator ; Waste heat ; Materials science ; Thermal efficiency ; Automotive engineering ; Thermoelectric cooling ; Thermoelectric effect ; Energy conversion efficiency ; Environmental science ; Pressure drop ; Waste heat recovery unit ; Nuclear engineering ; Mechanical engineering ; Engineering ; Mechanics ; Thermodynamics ; Optoelectronics ; Chemistry ; Heat exchanger ; Combustion Advanced Thermoelectric Materials and Devices ; Thermal Radiation and Cooling Technologies ; Thermal properties of materials
Authors: Mengmeng Xu | Yue Chang | Yuyan Zhang | Weizhe Wang | Jingyi Hong | Jiping Zhao | Xiaoyun Lu | Dan Tan
Source: Frontiers in Microbiology (article, 2022-06-27)
Field: Materials Science — Biomaterials

Development and Application of Transcription Terminators for Polyhydroxylkanoates Production in Halophilic Halomonas bluephagenesis TD01 <i>Halomonas bluephagenesis</i> TD01 is one of the ideal chassis for low-cost industrial production based on "Next Generation Industrial Biotechnology," yet the limited genetically regulatory parts such as transcriptional terminators, which are crucial for tuned regulations on gene expression, have hampered the engineering and applications of the strain. In this study, a series of intrinsic Rho-independent terminators were developed by either genome mining or rational design, and seven of them proved to exhibit higher efficiencies than the canonical strong T7 terminator, among which three terminators displayed high efficiencies over 90%. A preliminary modeling on the sequence-efficiency relationship of the terminators suggested that the poly U sequence regularity, the length and GC content of the stem, and the number and the size of hairpin loops remarkably affected the termination efficiency (TE). The rational and <i>de novo</i> designs of novel synthetic terminators based on the sequence-efficiency relationship and the "main contributor" engineering strategy proved to be effective, and fine-tuned polyhydroxylkanoates production was also achieved by the regulation of these native or synthetic terminators with different efficiencies. Furthermore, a perfectly positive correlation between the promoter activity and the TE was revealed in our study. The study enriches our knowledge of transcriptional termination <i>via</i> its sequence-strength relationship and enables the precise regulation of gene expression and PHA synthesis by intrinsic terminators, contributing to the extensive applications of <i>H. bluephagenesis</i> TD01 in the low-cost production of various chemicals. Synthetic biology ; Chassis ; Computational biology ; Biology ; Terminator (solar) ; Halomonas ; Gene ; Biomanufacturing ; Biochemical engineering ; Halophile ; Sequence (biology) ; Biotechnology ; Genetics ; Engineering ; Bacteria ; Physics biodegradable polymer synthesis and properties ; Bacterial Genetics and Biotechnology ; RNA Interference and Gene Delivery