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Cheminformatics for accelerated design of chemical admixtures

Christopher M. Childs、Oğulcan Canbek、Tia M. Kirby 等 9 位作者2020-07-31Cement and Concrete Research

Alternative binders require next-generation chemical admixtures, but discovery of such compounds is typically achieved through extensive iterative testing that does not ensure optimal solutions. Here, the use of cheminformatics, a data-driven approach used extensively in drug discovery, is demonstrated to identify new…

Computational Drug Discovery MethodsMachine Learning in Materials ScienceChemistry and Chemical Engineering

Structural Characterization of an S-enantioselective Imine Reductase from Mycobacterium Smegmatis

Timo Meyer、Nadine Zumbrägel、Christina Geerds 等 5 位作者2020-07-31Biomolecules

NADPH-dependent imine reductases (IREDs) are enzymes capable of enantioselectively reducing imines to chiral secondary amines, which represent important building blocks in the chemical and pharmaceutical industry. Since their discovery in 2011, many previously unknown IREDs have been identified, biochemically and stru…

Enzyme Catalysis and ImmobilizationEnzyme Structure and FunctionBiochemical and Molecular Research

Reactive Molecular Dynamics Study on the Effect of H2O on the Thermal Decomposition of Ammonium Dinitramide

Tao Zeng、Rongjie Yang、Dinghua Li 等 6 位作者2020-07-31Propellants Explosives Pyrotechnics

Abstract Ammonium dinitramide (ADN) is a halogen‐free green oxidizer, which is widely used in energetic materials because of its positive oxygen balance and low characteristic signal. However, ADN is easy to absorb moisture, which affects its storage and safety performances. It is of great significance to study the ef…

Energetic Materials and CombustionThermal and Kinetic AnalysisRocket and propulsion systems research

A PEKS-Based NDN Strategy for Name Privacy

Kyi Thar Ko、Htet Htet Hlaing、Masahiro Mambo2020-07-31Future Internet

Named Data Networking (NDN), where addressable content name is used, is considered as a candidate of next-generation Internet architectures. NDN routers use In-Network cache to replicate and store passing packets to make faster content delivery. Because NDN uses a human-readable name, it is easy for an adversary to gu…

Cooperative Communication and Network CodingCarbon and Quantum Dots ApplicationsCaching and Content Delivery

Highly Efficient Deoxydehydration and Hydrodeoxygenation on MoS2-Supported Transition-Metal Atoms through a C–H Activation Mechanism

Yongjie Xi、Andreas Heyden2020-07-31ACS Catalysis

Deoxydehydration (DODH) is an efficient process for the removal of vicinal OH groups of a diol or polyol. Conventional DODH reactions usually take place at a single-site MO x (M = Re, Mo, V, etc.) active center, which proceed through a diol condensation step, an alkene extrusion step, and a catalyst regeneration (or r…

Electrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceCatalysis and Hydrodesulfurization Studies

Low Velocity of Detonation Explosive Welding (LVEW) Process for Metal Joining

Bir Bahadur Sherpa、Pal Dinesh Kumar、Abhishek Upadhyay 等 6 位作者2020-07-31Propellants Explosives Pyrotechnics

Abstract In this research work, low velocity of detonation (VoD) explosive welding process (LVEW) is designed and developed. For this, a unique low VoD explosive mixture (LVE‐1) is prepared which consists of a 50/50 ratio of common salt and trimonite‐1. The velocity of detonation of the prepared explosive mixture was…

Aluminum Alloys Composites PropertiesAdvanced Welding Techniques AnalysisMXene and MAX Phase Materials

Improving power conversion efficiency in luminescent solar concentrators using nanoparticle fluorescence and scattering

Qingyang Lu、Shuhong Xu、Haibao Shao 等 8 位作者2020-07-31Nanotechnology

Abstract Large-size luminescent solar concentrators (LSCs), which act as a complement to silicon-based photovoltaic (Si-PV) systems, still suffer from low power conversion efficiency (PCE). How to improve the performance of LSCs, especially large ones, is currently a hot research topic. Traditional LSCs have only a si…

Quantum Dots Synthesis And PropertiesOrganic Light-Emitting Diodes ResearchPhotochemistry and Electron Transfer Studies

HEAT-RESISTANT REINFORCED CONCRETE SLAB IN KILNS

Sobirjon Razzakov、Abdukholik Abdurakhmonov2020-07-31Journal of science and innovative development

The article is devoted to the issues of heat preservation of the developed heat-resistant reinforced concrete slab in kilns. It contains information about the scientific research conducted by the authors over the years, the results on the priority and relevance of the problem, the conclusions of the tentative experime…

Construction Management and SustainabilityStructural mechanics and materialsEconomic and Industrial Development

Detemplated and Pillared 2-Dimensional Zeolite ZSM-55 with Ferrierite Layer Topology as a Carrier for Drugs

Weronika Strzempek、Aleksandra Korzeniowska、Andrzej Kowalczyk 等 5 位作者2020-07-31Molecules

The present studies were conducted to show the potential of 2D zeolites as effective and non-toxic carriers of drugs. Layered zeolites exhibit adjustable interlayer porosity which can be exploited for controlled drug delivery allowing detailed investigation of the drug release because the structure of the carrier is k…

Metal-Organic Frameworks: Synthesis and ApplicationsZeolite Catalysis and SynthesisMesoporous Materials and Catalysis

Over Three Hundred Percent Increased Light Extraction from Emitters at Mid-Infrared Wavelengths Using Metalenses

Cassandra L. Bogh、Aaron J. Muhowski、David A. Montealegre 等 6 位作者2020-07-31ACS Applied Electronic Materials

Low extraction efficiencies continue to be a source of parasitic heating and decreased performance in infrared light-emitting diodes. Research into metasurfaces and the advance of methods used to fabricate these planar structures have made it possible to realize a metalens tailored to increasing the radial output of g…

Metamaterials and Metasurfaces ApplicationsPlasmonic and Surface Plasmon ResearchPhotonic Crystals and Applications

Robust Nanoparticle Morphology and Size Analysis by Atomic Force Microscopy for Standardization

Kumiko Sakai‐Kato、Yuki Takechi‐Haraya、Tsukasa Chida 等 5 位作者2020-07-31Chemical and Pharmaceutical Bulletin

Because of the complexity of nanomedicines, analysis of their morphology and size has attracted considerable attention both from researchers and regulatory agencies. The atomic force microscope (AFM) has emerged as a powerful tool because it can provide detailed morphological characteristics of nanoparticles both in t…

Nanoparticle-Based Drug DeliveryForce Microscopy Techniques and ApplicationsMicrofluidic and Bio-sensing Technologies

Harvesting Energy Using Triboelectric Nanogenerator Mounted inside Rolling Tire

Hiroshi TANI、Mutsuki Sugimoto、Kazuhisa Fushihara 等 7 位作者2020-07-31Sensors and Materials

In this study, we developed a triboelectric nanogenerator (TENG) for intelligent tires.This TENG was attached on the inner surface of a racing cart tire.First, we evaluated the dependences of the TENG output on the environmental temperature and relative humidity to ensure that the proposed TENG can operate in a wide r…

Supercapacitor Materials and FabricationAdvanced Sensor and Energy Harvesting MaterialsConducting polymers and applications

Gas barrier properties of inorganic–organic nanocomposite gas barrier membranes with high content of layered double hydroxide (LDH) using surface modified LDH

Koji Kuraoka、Kazumi Miki2020-07-31Journal of the Ceramic Society of Japan

Inorganic–organic nanocomposite gas barrier membranes with high content of layered double hydroxide (LDH) using surface modified LDH on plastic film were prepared by cross-linking reaction. The effect of LDH content on the gas barrier properties [oxygen permeation and water vapor transmission rate (WVTR)] of the membr…

Supercapacitor Materials and FabricationMembrane Separation TechnologiesMembrane Separation and Gas Transport

Distance‐Dependent Electron Transfer Kinetics in Axially Connected Silicon Phthalocyanine‐Fullerene Conjugates

Luis Martín‐Gomis、Sairaman Seetharaman、David Herrero 等 7 位作者2020-07-31ChemPhysChem

Abstract The effect of donor‐acceptor distance in controlling the rate of electron transfer in axially linked silicon phthalocyanine‐C60 dyads has been investigated. For this, two C60‐SiPc‐C60 dyads, 1 and 2, varying in their donor‐acceptor distance, have been newly synthesized and characterized. In the case of C60‐Si…

Organic Electronics and PhotovoltaicsPorphyrin and Phthalocyanine ChemistryFullerene Chemistry and Applications

Controllable Fabrication of One-Dimensional and Two-Dimensional Compounds with Heterometallic Units: Syntheses, Crystal Structures, and Magnetic Properties

Zhuoqiang Zhou、Ye Xu、Ming‐Xing Li 等 5 位作者2020-07-31Crystal Growth & Design

A heterometallic Cu-Ln dinuclear compound [(Me 2 CO)Cu( L )Dy(NO 3 ) 3 ] ( 1 ) ( L = chiral Schiff base ligand) has been synthesized and structurally characterized. Employing the dinuclear compounds as secondary building units, three different coordination polymers [Cu( L )Dy(dca) 2 (NO 3 )] n ( 2 ) and [Cu( L )Ln(dca…

Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Giant spin signals in chemically functionalized multiwall carbon nanotubes

Roméo Bonnet、Pascal Martin、Stéphan Suffit 等 8 位作者2020-07-31Science Advances

Transporting quantum information such as the spin information over micrometric or even millimetric distances is a strong requirement for the next-generation electronic circuits such as low-voltage spin-logic devices. This crucial step of transportation remains delicate in nontopologically protected systems because of…

Carbon Nanotubes in CompositesMolecular Junctions and NanostructuresQuantum-Dot Cellular Automata

The Influence of Particle Size and Reinforcement Rate of B4C on Mechanical and Microstructure Properties of Al-B4C Composites

Mahmut Can Şenel、Mevlüt Gürbüz2020-07-31Düzce Üniversitesi Bilim ve Teknoloji Dergisi

In this study, Al-B4C composites were produced with various particle sizes (B4C: 3.5 and 20 µm) and reinforcement rates (B4C%: 1, 3, 6, 9, 12, 15, 30%) by the powder metallurgy method. The apparent density, compressive strength, and Vickers hardness of the composites were determined by Archimedes’ density meter, unive…

Advanced ceramic materials synthesisAluminum Alloys Composites PropertiesTitanium Alloys Microstructure and Properties

Structure and electrical properties of Ba3TaGa3Si2O14 single crystals grown by Czochralski method

Haruki Usui、Hiraku Kusakabe、Makoto Tokuda 等 7 位作者2020-07-31Journal of the Ceramic Society of Japan

Ba3TaGa3Si2O14 (BTGS) bulk single crystals were grown by the Czochralski method. The crystal structure of BTGS has been refined using single-crystal X-ray diffraction data with a precision corresponding to an R index of 0.018. The crystal structure is isostructural to La3Ga5SiO14 which has the trigonal space group P32…

Ferroelectric and Piezoelectric MaterialsUltrasonics and Acoustic Wave PropagationAcoustic Wave Resonator Technologies

Spectroscopy and diode-pumped laser operation of transparent Tm:Lu3Al5O12 ceramics produced by solid-state sintering

Fangxin Yue、Pavel Loiko、Mengting Chen 等 23 位作者2020-07-31Optics Express

A transparent Tm:Lu3Al5O12 ceramic is fabricated by solid-state reactive sintering at 1830 °C for 30 h using commercial α-Al2O3 and Lu2O3/Tm2O3 powders and sintering aids - MgO and TEOS. The ceramic belongs to the cubic system and exhibits a close-packed structure (mean grain size: 21 µm). The in-line transmission at…

Luminescence Properties of Advanced MaterialsSolid State Laser TechnologiesOptical properties and cooling technologies in crystalline materials

Evidence of disruption of Si-rich microstructure in engineering-lightweight Al–12.2at.%Si alloy melt above liquidus temperature

Xixi Dong、Peijie Li、Sajjad Amirkhanlou 等 7 位作者2020-07-31Scientific Reports

Abstract The exploration of microstructures in high temperature alloy melts is important for manufacturing of metallic components but extremely challenging. Here, we report experimental evidence of the disruption of Si-rich microstructure in engineering-lightweight Al–12.2at.%Si alloy melt at 1100 °C, via melt-spinnin…

Aluminum Alloy Microstructure PropertiesSolidification and crystal growth phenomenananoparticles nucleation surface interactions