jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Engui Zhao | Puxiang Lai | Yongjun Xu | Gang Zhang | Sijie Chen
Source: Frontiers in Chemistry (review, 2020-04-24)
Field: Materials Science — Materials Chemistry

Fluorescent Materials With Aggregation-Induced Emission Characteristics for Array-Based Sensing Assay Array-based sensing is a powerful tool for identifying analytes in complex environments with unknown interferences. In array-based sensing, the sensors, which transduce binding details to signal outputs, are of crucial importance for identifying analytes. Aggregation-induced emission luminogens (AIEgens) enjoy the advantages of easy synthesis and high sensitivity, which enable them to facilely form a sensor pool through structural modifications and sensitively reflect the subtle changes associated with binding events. All these features make AIEgens excellent candidates for array-based sensing, and attempts have been made by several research groups to explore their potentials in array-based sensing. In this review, we introduce the recent progresses of employing AIEgens as sensors in sensing assays and in building up sensor arrays for identification of varied biological analytes, including biomolecules and bacteria. Examples are selected to illustrate the working mechanism, probe design and selection, capability of the sensor array, and implications of these sensing methods. Analyte ; Aggregation-induced emission ; Sensor array ; Biomolecule ; Nanotechnology ; Fluorescence ; Computer science ; Biological system ; Materials science ; Chemistry ; Biology ; Physics ; Chromatography Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Advanced biosensing and bioanalysis techniques
Authors: Adi Wolfson | Oshrat Levy‐Ontman
Source: Catalysts (article, 2020-01-18)
Field: Chemistry — Organic Chemistry

Recent Developments in the Immobilization of Palladium Complexes on Renewable Polysaccharides for Suzuki–Miyaura Cross-Coupling of Halobenzenes and Phenylboronic Acids Polysaccharides derived from natural sources exhibit unique structures and functional groups, which have recently garnered them increased attention for their potential applicability as supports for metal catalysts. Renewable polysaccharide matrices were employed as supports for palladium complexes, with or without previous modification of the support, and were used in Suzuki cross-coupling of halobenzenes and phenylboronic acid derivatives. In this review, recent developments in the immobilization of palladium-based complexes are reported, including descriptions of the preparation procedures and catalytic activity of each system. In addition, the effects of the nature of the polymeric support and of the reaction conditions on catalytic performance are discussed. Phenylboronic acid ; Palladium ; Chemistry ; Suzuki reaction ; Polysaccharide ; Catalysis ; Combinatorial chemistry ; Organic chemistry Catalytic Cross-Coupling Reactions ; Polyoxometalates: Synthesis and Applications ; biodegradable polymer synthesis and properties
Authors: John H. Reed | Johannes Klett | Craig F. Steven | Nicolai Cramer
Source: Organic Chemistry Frontiers (article, 2020-01-01)
Field: Chemistry — Inorganic Chemistry

Stay positive: catalysis with 1,3,2-diazaphospholenes Fundamental properties and recent advances in the catalytic application of 1,3,2-diazaphospholenes are reviewed, and future directions for the field are presented. Chemistry ; Catalysis ; Field (mathematics) ; Nanotechnology ; Organic chemistry ; Pure mathematics ; Mathematics Asymmetric Hydrogenation and Catalysis ; Synthetic Organic Chemistry Methods ; Organophosphorus compounds synthesis
Authors: Maria Tannous | Francesco Trotta | Roberta Cavalli
Source: Nanomedicine (article, 2020-02-20)
Field: Materials Science — Biomaterials

Nanosponges for Combination Drug Therapy: State-Of-The-Art and Future Directions A combination drug therapy comprising biocompatible nanoparticles as delivery systems represents a promising and challenging strategy to treat complex pathologies, such as cancer, neurodegenerative disorders and severe infectious diseases. State (computer science) ; Drug ; Medicine ; Computer science ; Pharmacology Nanoparticle-Based Drug Delivery ; Advanced biosensing and bioanalysis techniques ; Graphene and Nanomaterials Applications
Authors: Massimo Ottonelli | Stefania Zappia | Anna Demartini | Marina Alloisio
Source: Nanomaterials (article, 2020-01-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Chitosan-Stabilized Noble Metal Nanoparticles: Study of their Shape Evolution and Post-Functionalization Properties Noble metal anisotropic nanostructures have achieved a growing interest in both academic and industrial domains mostly because of their shape-dependent plasmonic properties in the near-infrared region. In this paper, gold and gold-silver anisotropic nanostructures were synthesized in very high shape-yields through a wet, seed-mediated approach based on the use of nearly spherical silver nanoparticles as seeds and chitosan as stabilizing agent. Two chitosans of different origin and molecular properties were selected for the synthetic pathway, leading to the formation of variously sized and shaped end products. In detail, quite homogeneous nanoplatelets of about 25-nm size and 7-nm thickness or nearly spherical, highly porous nanocages of about 50-nm size were obtained, depending on the type of polysaccharide employed. The shape transition towards anisotropic morphologies occurred through a slow, spontaneous process, in which the chitosan nature seemed to play a key role. As expected, both nanoplatelets and nanocages exhibit shape-dependent plasmonic features and surface properties tunable for a variety of application fields. To prove this point, the nanostructures were successfully post-functionalized with poly(10,12-pentacosadiynoic acid) (PCDA), a carboxylic-endowed diacetylene able to anchor on noble metal substrates, to obtain versatile, chromic platforms suitable for sensing and spectroscopic purposes. Nanocages ; Noble metal ; Materials science ; Nanostructure ; Nanotechnology ; Nanoparticle ; Surface modification ; Plasmon ; Chitosan ; Chemical engineering ; Surface plasmon resonance ; Colloidal gold ; Metal ; Chemistry ; Organic chemistry ; Optoelectronics ; Catalysis Gold and Silver Nanoparticles Synthesis and Applications ; Polydiacetylene-based materials and applications ; Quantum Dots Synthesis And Properties
Authors: Yan Meng | Wenxing Sun | Hao Yang | Wei Wang | Nan Jin | Yuchao Zhao | Xunli Zhang | Hongying Lü
Source: Colloids and Surfaces A Physicochemical and Engineering Aspects (article, 2020-02-14)
Field: Materials Science — Materials Chemistry

Fine tuning of surface properties of SiO2 nanoparticles for the regulation of Pickering emulsions Pickering emulsion ; Nanoparticle ; Surface tension ; Materials science ; Phase inversion ; Chemical engineering ; Particle (ecology) ; Surface energy ; Phase (matter) ; Nanotechnology ; Composite material ; Chemistry ; Thermodynamics ; Organic chemistry ; Membrane Pickering emulsions and particle stabilization ; Proteins in Food Systems ; Surfactants and Colloidal Systems
Authors: Daisy W. Leung | Chunping Chen | Jean‐Charles Buffet | Dermot O’Hare
Source: Dalton Transactions (article, 2020-01-01)
Field: Materials Science — Materials Chemistry

Correlations of acidity-basicity of solvent treated layered double hydroxides/oxides and their CO<sub>2</sub> capture performance The basicity and acidity of solvent-treated layered double hydroxide (ST-LDHs) and their layered double oxides (ST-LDOs) have been fully studied using Hammett titration, in situ FTIR, CO<sub>2</sub>-TPD and NH<sub>3</sub>-TPD. Five solvents (ethanol, acetone, isopropanol, ethyl acetate and 1-hexanol) were selected to treat [Mg<sub>0.72</sub>Al<sub>0.28</sub>(OH)<sub>2</sub>](CO<sub>3</sub>)<sub>0.14</sub> (Mg<sub>2.5</sub>Al-CO<sub>3</sub> LDH) and compared with traditional LDH co-precipitated from water. The Brønsted basicity strength of the ST-LDHs and ST-LDOs increased but was accompanied by a decrease in basic site density. In addition, the Lewis acidity of ST-LDOs also changes significantly, with medium strength Lewis acid sites dissapearing after solvent treatment. We found that the CO<sub>2</sub> capture capacity of solvent treated LDOs is 50% higher than that of traditional co-precipitated LDO sample. The ethanol treated LDO exhibited the highest CO<sub>2</sub> uptake of 1.01 mmol g<sup>-1</sup>. The observed CO<sub>2</sub> capture performance of the ST-LDOs correlates linearly with the ratio of total acid sites to total basic sites. Chemistry ; Lewis acids and bases ; Solvent ; Titration ; Hydroxide ; Inorganic chemistry ; Ethanol ; Layered double hydroxides ; Acetone ; Protonation ; Nuclear chemistry ; Catalysis ; Organic chemistry ; Ion Layered Double Hydroxides Synthesis and Applications ; Supercapacitor Materials and Fabrication ; Carbon dioxide utilization in catalysis
Authors: Isaac Choi | Valentin Müller | Yanhui Wang | Kai Xue | Rositha Kuniyil | Loren B. Andreas | Volker Karius | Johan G. Alauzun | Lutz Ackermann
Source: Chemistry - A European Journal (article, 2020-08-08)
Field: Chemistry — Organic Chemistry

Recyclable Ruthenium Catalyst for Distal <i>meta</i>‐C−H Activation We disclose the unprecedented hybrid-ruthenium catalysis for distal meta-C-H activation. The hybrid-ruthenium catalyst was recyclable, as was proven by various heterogeneity tests, and fully characterized with various microscopic and spectroscopic techniques, highlighting the physical and chemical stability. Thereby, the hybrid-ruthenium catalysis proved broadly applicable for meta-C-H alkylations of among others purine-based nucleosides and natural product conjugates. Additionally, its versatility was further reflected by meta-C-H activations through visible-light irradiation, as well as para-selective C-H activations. Ruthenium ; Catalysis ; Chemistry ; Combinatorial chemistry ; Organic chemistry Catalytic C–H Functionalization Methods ; Synthesis and Catalytic Reactions ; Catalytic Cross-Coupling Reactions
Authors: Chun-Shing Lee | Matteo Lulli | Ling-Han Zhang | Hai-Yao Deng | Chi‐Hang Lam
Source: Physical Review Letters (article, 2020-12-29)
Field: Materials Science — Materials Chemistry

Fragile Glasses Associated with a Dramatic Drop of Entropy under Supercooling We perform kinetic Monte Carlo simulations of a distinguishable-particle lattice model of structural glasses with random particle interactions. By varying the interaction distribution and the average particle hopping energy barrier, we obtain an extraordinarily wide range of kinetic fragility. A stretching exponent, characterizing structural relaxation, is found to decrease with the kinetic fragility in agreement with experiments. The most fragile glasses are those exhibiting low hopping barriers and, more importantly, dramatic drops of entropies upon cooling toward the glass transition temperatures. The entropy drops reduce possible kinetic pathways and lead to dramatic slowdowns in the dynamics. In addition, the kinetic fragility is shown to correlate with a thermodynamic fragility. Fragility ; Kinetic energy ; Supercooling ; Kinetic Monte Carlo ; Materials science ; Thermodynamics ; Drop (telecommunication) ; Statistical physics ; Monte Carlo method ; Exponent ; Chemical physics ; Condensed matter physics ; Physics ; Classical mechanics Material Dynamics and Properties ; Theoretical and Computational Physics ; Phase Equilibria and Thermodynamics
Authors: Zia Javanbakht | Wayne Hall | Amandeep Singh Virk | John Summerscales | Andreas Öchsner
Source: Journal of Composite Materials (article, 2020-03-24)
Field: Materials Science — Polymers and Plastics

Finite element analysis of natural fiber composites using a self-updating model The aim of the current work was to illustrate the effect of the fibre area correction factor on the results of modelling natural fibre-reinforced composites. A mesoscopic approach is adopted to represent the stochastic heterogeneity of the composite, i.e. a meso-structural numerical model was prototyped using the finite element method including quasi-unidirectional discrete fibre elements embedded in a matrix. The model was verified by the experimental results from previous work on jute fibres but is extendable to every natural fibre with cross-sectional non-uniformity. A correction factor was suggested to fine-tune both the analytical and numerical models. Moreover, a model updating technique for considering the size-effect of fibres is introduced and its implementation was automated by means of FORTRAN subroutines and Python scripts. It was shown that correcting and updating the fibre strength is critical to obtain accurate macroscopic response of the composite when discrete modelling of fibres is intended. Based on the current study, it is found that consideration of the effect of flaws on the strength of natural fibres and inclusion of the fibre area correction factor are crucial to obtain realistic results. Mesoscopic physics ; Subroutine ; Finite element method ; Materials science ; Composite material ; Composite number ; Python (programming language) ; Fiber ; Fortran ; Numerical analysis ; Computer science ; Structural engineering ; Mathematics ; Engineering ; Mathematical analysis Natural Fiber Reinforced Composites ; Mechanical Behavior of Composites ; Bamboo properties and applications
Authors: Lingqiao Li | Xipeng Pan | Wen‐Li Chen | Wei Manman | Yanchun Feng | Lihui Yin | Chang-Qin Hu | Huihua Yang
Source: Journal of Innovative Optical Health Sciences (article, 2020-05-15)
Field: Chemistry — Analytical Chemistry

Multi-manufacturer drug identification based on near infrared spectroscopy and deep transfer learning Near infrared (NIR) spectrum analysis technology has outstanding advantages such as rapid, nondestructive, pollution-free, and is widely used in food, pharmaceutical, petrochemical, agricultural products production and testing industries. Convolutional neural network (CNN) is one of the most successful methods in big data analysis because of its powerful feature extraction and abstraction ability, and it is especially suitable for solving multi-classification problems. CNN-based transfer learning is a machine learning technique, which migrates parameters of trained model to the new one to improve the performance. The transfer learning strategy can speed up the learning efficiency of the model instead of learning from scratch. In view of the difficulty in acquisition of drug NIR spectral data and high labeling cost, this paper proposes three simple but very effective transfer learning methods for multi-manufacturer identification of drugs based on one-dimensional CNN. Compared with the original CNN, the transfer learning method can achieve better classification performance with fewer NIR spectral data, which greatly reduces the dependence on labeled NIR spectral data. At the same time, this paper also compares and discusses three different transfer learning methods, and selects the most suitable transfer learning model for drug NIR spectral data analysis. Compared with the current popular methods, such as SVM, BP, AE and ELM, the proposed method achieves higher classification accuracy and scalability in multi-variety and multi-manufacturer NIR spectrum classification experiments. Transfer of learning ; Computer science ; Artificial intelligence ; Convolutional neural network ; Deep learning ; Machine learning ; Pattern recognition (psychology) ; Feature (linguistics) ; Inductive transfer ; Robot learning Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Advanced Chemical Sensor Technologies
Authors: Iman Sajedian | Trevon Badloe | Heon Lee | Junsuk Rho
Source: Nano Convergence (article, 2020-08-03)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Deep Q-network to produce polarization-independent perfect solar absorbers: a statistical report Using reinforcement learning, a deep Q-network was used to design polarization-independent, perfect solar absorbers. The deep Q-network selected the geometrical properties and materials of a symmetric three-layer metamaterial made up of circular rods on top of two films. The combination of all the possible permutations gives around 500 billion possible designs. In around 30,000 steps, the deep Q-network was able to produce 1250 structures that have an integrated absorption of higher than 90% in the visible region, with a maximum of 97.6% and an integrated absorption of less than 10% in the 8-13 µm wavelength region, with a minimum of 1.37%. A statistical analysis of the distribution of materials and geometrical parameters that make up the solar absorbers is presented. Metamaterial ; Rod ; Wavelength ; Optics ; Polarization (electrochemistry) ; Absorption (acoustics) ; Materials science ; Physics ; Computer science ; Chemistry Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Energy Harvesting in Wireless Networks
Authors: Jiawei Zhang | Taiping Yao | Tohid Shahsavarian | Chuanyang Li | Zhipeng Lei | Zhousheng Zhang | Ruokun Jia | Sombel Diaham
Source: IEEE Transactions on Dielectrics and Electrical Insulation (article, 2020-03-25)
Field: Materials Science — Materials Chemistry

Improvement in anti-static property and thermal conductivity of epoxy resin by doping graphene This work investigates the effect of graphene filler in epoxy resin with the purpose of developing an improved thermally conductive epoxy encapsulation material for electronic devices. The findings in this work show that the thermal conductivity increases by a factor of about 1.6 times with 0.1 wt% loading of graphene in epoxy resin. The increase in the rate of surface charge verifies an improved anti-static property. On examining the phase resolved partial discharge patterns, it is observed that the inception voltage and the number of partial discharge pulses is lower for the filled epoxy compared to that of the neat epoxy. The increase in the rate of surface charge decay indicates an improved anti-static property. The findings in this paper provide a reference in the development of materials with improved thermal conductivity and anti-static properties for graphene/epoxy materials for use in the packaging of electronic devices. Epoxy ; Graphene ; Materials science ; Composite material ; Thermal conductivity ; Doping ; Conductivity ; Electrical conductor ; Filler (materials) ; Optoelectronics ; Nanotechnology ; Chemistry Graphene research and applications ; Thermal properties of materials ; Carbon Nanotubes in Composites
Authors: Mingjun Jing | Tianjing Wu | Yazheng Zhou | Xilong Li | Yong Liu
Source: Frontiers in Chemistry (article, 2020-06-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Nitrogen-Doped Graphene via In-situ Alternating Voltage Electrochemical Exfoliation for Supercapacitor Application Doping heteroatom, an effective way to enhance the electrochemical performances of graphene, has received wide attention, especially related to nitrogen. Alternating voltage electrochemical exfoliation, as a low cost and green electrochemical approach, has been developed to construct <i>in-situ</i> N-doped graphene (N-Gh) material. The N-Gh presents a much higher capacity than that of pure graphene prepared via the same method, which might be attributed to the introduction of nitrogen, which has much more effects and a disordered structure. As-prepared N-Gh exhibits a low O/C ratio that is helpful in maintaining high electrical conductivity. And the effects and disorder structure are also conductive to reduce the overlaps of graphene layers. A symmetric supercapacitor assembled with N-Gh electrodes displays a satisfactory rate behavior and long cycling stability (92.3% retention after 5,000 cycles). Graphene ; Exfoliation joint ; Heteroatom ; Supercapacitor ; Materials science ; Electrochemistry ; Doping ; Electrode ; Conductivity ; Chemical engineering ; Nanotechnology ; Graphene foam ; Nitrogen ; Graphene nanoribbons ; Optoelectronics ; Chemistry ; Organic chemistry ; Physical chemistry Supercapacitor Materials and Fabrication ; Graphene research and applications ; Advancements in Battery Materials
Authors: O. H. ABDULLAH | Ahmed Mishaal Mohammed
Source: Digest Journal of Nanomaterials and Biostructures (article, 2020-09-01)
Field: Materials Science — Materials Chemistry

GREEN SYNTHESIS OF AuNPs FROM THE LEAF EXTRACT OF PROSOPIS FARCTA FOR ANTIBACTERIAL AND ANTI-CANCER APPLICATIONS This study involves the synthesis of gold nanoparticles (AuNPs) formed from the Prosopis farcta leaf extract. The transmission electron microscope, scanning electron microscope, atomic force microscope, X-ray diffraction, and UV-Visible spectroscopy results all confirmed the characterisation of AuNPs. The in vitro anticancer activity of AuNPs against breast cancer -13 (AMJ-13) and human breast epithelial (HBL) cell lines was investigated, along with its antibacterial activity against gram's positive bacteria, the Staphylococcus aureus. AuNPs were found to produce a significant cytotoxic effect on the AMJ-13 cell line, contrary to the HBL cell line, which showed no significant cytotoxicity upon it. The antibacterial activity demonstrated that gram-positive S. aureus was affected by AuNPs. These results prove that AuNPs have great potential as anticancer and antibacterial agents and can be used in developing strategies for successful anticancer and antibacterial. Antibacterial activity ; Colloidal gold ; Cytotoxicity ; Bacteria ; Gram-positive bacteria ; Atomic force microscopy ; Transmission electron microscopy ; Nuclear chemistry ; In vitro ; Traditional medicine ; Cancer cell lines ; Nanotechnology ; Chemistry ; Materials science ; Nanoparticle ; Microbiology ; Antimicrobial ; Biology ; Cancer ; Cancer cell ; Biochemistry ; Medicine Nanoparticles: synthesis and applications ; Moringa oleifera research and applications ; Medicinal Plant Research
Authors: Mohammad Kharezy | Hassan Mirzaei | Yuriy Serdyuk | Torbjörn Thiringer | Morteza Eslamian
Source: IEEE Transactions on Power Delivery (article, 2020-11-03)
Field: Materials Science — Materials Chemistry

A Novel Oil-Immersed Medium Frequency Transformer for Offshore HVDC Wind Farms Offshore wind farms pose the challenge of transmission of produced energy in an economic and effective way over long distances, justifying investments in High Voltage Direct Current (HVDC) systems. A solution to surmount the need for an expensive and large power transformer station is to connect each wind turbine to a DC/DC converter in which a Medium Frequency Transformer (MFT) is utilized to reduce the size of the station. Further, the DC outputs of the converters of the wind turbines can be connected in series to create a high DC voltage. In this solution, the MFTs are required to be insulated against a high DC voltage to ground in a limited compartment. This contribution presents a prototype of a 50 kW oil-paper insulated MFT operating at biased 422/4500 V/V AC 5 kHz and 125 kV DC test voltage, which has been manufactured and subjected to verification HV tests. The dielectric design of the prototype MFT based on finite element solution of non-linear Maxwell-Wagner equations is introduced and the acceptance criteria and practical design considerations are discussed. Offshore wind power ; Transformer ; Wind power ; Electrical engineering ; High-voltage direct current ; Converters ; Engineering ; Turbine ; Voltage ; High voltage ; Marine engineering ; Direct current ; Mechanical engineering High voltage insulation and dielectric phenomena ; Lightning and Electromagnetic Phenomena ; Thermal Analysis in Power Transmission